NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
425256 |
2gg1   |
6800 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2gg1
save_distance_constraint_statistics_1
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 1
_Distance_constraint_stats_list.Constraint_count 1428
_Distance_constraint_stats_list.Viol_count 2425
_Distance_constraint_stats_list.Viol_total 8807.011
_Distance_constraint_stats_list.Viol_max 1.701
_Distance_constraint_stats_list.Viol_rms 0.0744
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0154
_Distance_constraint_stats_list.Viol_average_violations_only 0.1816
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 10 THR 18.878 0.753 16 15 "[-**** *1* ***+****]"
1 11 TYR 11.245 0.753 16 15 "[-**** *1* ***+****]"
1 12 THR 7.918 0.356 13 0 "[ . 1 . 2]"
1 13 VAL 0.337 0.084 13 0 "[ . 1 . 2]"
1 14 CYS 3.847 0.252 15 0 "[ . 1 . 2]"
1 15 ASP 1.277 0.296 7 0 "[ . 1 . 2]"
1 16 LYS 16.557 0.836 10 20 [*****-***+**********]
1 17 THR 16.036 0.836 10 20 [*****-***+**********]
1 18 LYS 6.193 0.635 20 1 "[ . 1 . +]"
1 19 PHE 19.629 1.701 20 16 "[****.*** * ** *-***+]"
1 20 THR 1.557 0.284 13 0 "[ . 1 . 2]"
1 21 TRP 30.621 1.701 20 18 "[*******- **** *****+]"
1 22 LYS 29.420 0.790 6 9 "[* * .+* ** * . - *]"
1 23 ARG 12.153 0.493 10 0 "[ . 1 . 2]"
1 24 ALA 2.377 0.231 11 0 "[ . 1 . 2]"
1 25 PRO 18.194 0.829 17 5 "[ - * * 1 * . + 2]"
1 26 THR 8.651 0.421 19 0 "[ . 1 . 2]"
1 27 ASP 8.474 0.421 19 0 "[ . 1 . 2]"
1 28 SER 6.184 0.320 7 0 "[ . 1 . 2]"
1 29 GLY 1.611 0.276 7 0 "[ . 1 . 2]"
1 30 HIS 2.548 0.124 4 0 "[ . 1 . 2]"
1 31 ASP 4.385 0.276 7 0 "[ . 1 . 2]"
1 32 THR 17.732 0.698 3 9 "[* + ** * .*-* *]"
1 33 VAL 0.894 0.352 2 0 "[ . 1 . 2]"
1 34 VAL 13.997 0.513 4 1 "[ +. 1 . 2]"
1 35 MET 6.667 0.380 4 0 "[ . 1 . 2]"
1 36 GLU 5.453 0.220 15 0 "[ . 1 . 2]"
1 37 VAL 10.632 0.606 8 4 "[ . +*1 * - 2]"
1 38 GLY 12.891 0.790 6 9 "[* * .+* ** * . - *]"
1 39 PHE 6.057 0.733 14 4 "[ . - +. * *]"
1 40 SER 6.650 0.435 20 0 "[ . 1 . 2]"
1 41 GLY 2.597 0.220 8 0 "[ . 1 . 2]"
1 42 THR 7.145 0.635 20 2 "[ . 1 .- +]"
1 43 ARG 1.463 0.137 7 0 "[ . 1 . 2]"
1 44 PRO 2.698 0.190 14 0 "[ . 1 . 2]"
1 45 CYS 7.902 0.445 17 0 "[ . 1 . 2]"
1 46 ARG 12.882 0.851 8 6 "[ . + 1 * ** -*2]"
1 47 ILE 0.630 0.140 14 0 "[ . 1 . 2]"
1 48 PRO 10.995 0.851 8 6 "[ . + 1 * ** -*2]"
1 49 VAL 24.500 1.022 3 20 [**+**************-**]
1 50 ARG 2.406 0.206 11 0 "[ . 1 . 2]"
1 51 ALA 0.280 0.119 7 0 "[ . 1 . 2]"
1 52 VAL 0.056 0.029 2 0 "[ . 1 . 2]"
1 53 ALA 4.983 0.564 7 1 "[ . + 1 . 2]"
1 54 HIS 9.194 0.949 16 5 "[ - *1 * .+ * 2]"
1 55 GLY 6.070 0.287 12 0 "[ . 1 . 2]"
1 56 VAL 7.802 0.324 20 0 "[ . 1 . 2]"
1 57 PRO 11.953 0.324 20 0 "[ . 1 . 2]"
1 58 GLU 4.529 0.564 7 1 "[ . + 1 . 2]"
1 59 VAL 0.281 0.101 18 0 "[ . 1 . 2]"
1 60 ASN 2.952 0.221 14 0 "[ . 1 . 2]"
1 61 VAL 10.963 0.802 14 5 "[ * . ** +. - 2]"
1 62 ALA 11.912 0.613 17 9 "[ * * **** .*+- 2]"
1 63 MET 11.336 0.659 3 4 "[ + . ** -. 2]"
1 64 LEU 16.002 0.613 17 9 "[ * * **** .*+- 2]"
1 65 ILE 16.408 0.517 19 1 "[ . 1 . +2]"
1 66 THR 4.832 0.319 11 0 "[ . 1 . 2]"
1 67 PRO 12.639 0.384 2 0 "[ . 1 . 2]"
1 68 ASN 9.422 0.384 2 0 "[ . 1 . 2]"
1 69 PRO 5.152 0.726 18 2 "[ *. 1 . + 2]"
1 70 THR 2.878 0.274 6 0 "[ . 1 . 2]"
1 71 MET 13.468 0.971 16 4 "[ . - *.+* 2]"
1 72 GLU 9.439 0.770 2 3 "[ + . 1 *- 2]"
1 73 ASN 4.433 0.988 8 2 "[ . + - . 2]"
1 74 ASN 7.520 0.988 8 2 "[ . + - . 2]"
1 75 GLY 7.599 0.368 4 0 "[ . 1 . 2]"
1 76 GLY 4.680 0.333 14 0 "[ . 1 . 2]"
1 77 GLY 7.388 0.547 15 2 "[ . 1 +- 2]"
1 78 PHE 3.320 0.785 4 1 "[ +. 1 . 2]"
1 79 ILE 7.410 0.513 4 1 "[ +. 1 . 2]"
1 80 GLU 10.904 0.785 4 1 "[ +. 1 . 2]"
1 81 MET 21.374 0.633 6 5 "[* .+ 1 *. - *]"
1 82 GLN 34.389 0.698 3 10 "[* + *** * .*-**2]"
1 83 LEU 0.305 0.120 7 0 "[ . 1 . 2]"
1 85 PRO 5.899 0.249 20 0 "[ . 1 . 2]"
1 86 GLY 0.678 0.136 17 0 "[ . 1 . 2]"
1 87 ASP 12.244 0.998 15 4 "[ . - 1 * + * 2]"
1 88 ASN 16.388 0.603 15 3 "[ . - 1 + * 2]"
1 89 ILE 23.461 0.829 17 8 "[ * * *- 1 * . + **]"
1 90 ILE 25.962 1.022 3 20 [**+-****************]
1 91 TYR 1.571 0.206 11 0 "[ . 1 . 2]"
1 92 VAL 2.983 0.367 18 0 "[ . 1 . 2]"
1 93 GLY 0.163 0.084 14 0 "[ . 1 . 2]"
1 94 ASP 0.774 0.262 5 0 "[ . 1 . 2]"
1 95 LEU 21.332 0.701 12 12 "[ * * -***+* * * **]"
1 96 ASN 8.519 0.550 19 3 "[ . - 1 . +*]"
1 97 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 98 GLN 7.916 0.998 15 3 "[ . 1 *+ - 2]"
1 99 TRP 9.477 0.417 14 0 "[ . 1 . 2]"
1 100 PHE 13.305 0.897 13 4 "[ . - 1 + * * 2]"
1 101 GLN 11.411 0.802 14 3 "[ . * 1 +. - 2]"
1 102 LYS 2.000 0.176 17 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 10 THR H 1 10 THR MG 3.299 . 4.659 2.063 1.790 3.154 0.149 5 0 "[ . 1 . 2]" 1
2 1 10 THR H 1 11 TYR HA 3.271 . 4.608 5.170 5.041 5.361 0.753 16 15 "[-**** *1* ***+****]" 1
3 1 10 THR H 1 42 THR HA 3.080 . 4.266 3.758 3.275 4.901 0.635 20 2 "[ . 1 .- +]" 1
4 1 10 THR HA 1 10 THR HB 2.622 . 3.481 2.414 2.370 2.459 . 0 0 "[ . 1 . 2]" 1
5 1 10 THR HA 1 10 THR MG 2.391 . 5.500 3.215 3.202 3.228 . 0 0 "[ . 1 . 2]" 1
6 1 10 THR HB 1 42 THR HA 2.625 . 5.500 5.273 4.791 5.531 0.031 5 0 "[ . 1 . 2]" 1
7 1 10 THR MG 1 12 THR H 3.337 . 4.729 4.934 4.615 5.085 0.356 13 0 "[ . 1 . 2]" 1
8 1 10 THR MG 1 12 THR HB 2.272 . 5.500 5.075 4.946 5.226 . 0 0 "[ . 1 . 2]" 1
9 1 10 THR MG 1 42 THR HA 2.211 . 2.568 2.609 2.171 2.801 0.233 13 0 "[ . 1 . 2]" 1
10 1 10 THR MG 1 42 THR HB 2.579 . 5.500 4.134 3.776 4.641 . 0 0 "[ . 1 . 2]" 1
11 1 11 TYR HB2 1 12 THR H 2.601 . 3.447 3.252 3.051 3.440 . 0 0 "[ . 1 . 2]" 1
12 1 11 TYR HB2 1 45 CYS QB 1.784 . 5.500 4.583 3.825 4.891 . 0 0 "[ . 1 . 2]" 1
13 1 12 THR H 1 12 THR HA 2.599 . 3.444 2.749 2.723 2.794 . 0 0 "[ . 1 . 2]" 1
14 1 12 THR H 1 12 THR HB 2.604 . 5.500 3.539 3.461 3.596 . 0 0 "[ . 1 . 2]" 1
15 1 12 THR H 1 12 THR MG 2.488 . 3.262 2.882 2.728 2.956 . 0 0 "[ . 1 . 2]" 1
16 1 12 THR H 1 13 VAL H 3.174 . 4.434 4.323 4.301 4.337 . 0 0 "[ . 1 . 2]" 1
17 1 12 THR H 1 14 CYS QB 2.809 . 5.500 4.948 4.449 5.366 . 0 0 "[ . 1 . 2]" 1
18 1 12 THR H 1 45 CYS HA 3.010 . 4.143 2.358 2.018 2.574 . 0 0 "[ . 1 . 2]" 1
19 1 12 THR H 1 46 ARG H 3.369 . 4.788 3.631 3.407 3.907 . 0 0 "[ . 1 . 2]" 1
20 1 12 THR HA 1 12 THR HB 2.253 . 2.887 2.529 2.492 2.551 . 0 0 "[ . 1 . 2]" 1
21 1 12 THR HA 1 12 THR MG 2.571 . 5.500 3.218 3.204 3.224 . 0 0 "[ . 1 . 2]" 1
22 1 12 THR HA 1 13 VAL H 2.053 . 5.500 2.719 2.599 2.772 . 0 0 "[ . 1 . 2]" 1
23 1 12 THR HA 1 13 VAL HB 2.870 . 5.500 5.313 4.980 5.463 . 0 0 "[ . 1 . 2]" 1
24 1 12 THR HA 1 14 CYS H 3.321 . 5.500 5.682 5.616 5.752 0.252 15 0 "[ . 1 . 2]" 1
25 1 12 THR HA 1 46 ARG H 3.416 . 4.875 4.424 4.119 4.660 . 0 0 "[ . 1 . 2]" 1
26 1 12 THR HB 1 12 THR MG 2.105 . 2.659 2.131 2.126 2.133 . 0 0 "[ . 1 . 2]" 1
27 1 12 THR HB 1 13 VAL H 2.361 . 5.500 3.636 3.558 3.710 . 0 0 "[ . 1 . 2]" 1
28 1 12 THR HG1 1 13 VAL H 2.588 . 3.425 2.786 2.108 3.063 . 0 0 "[ . 1 . 2]" 1
29 1 12 THR MG 1 45 CYS QB 3.154 . 5.500 3.664 3.293 3.928 . 0 0 "[ . 1 . 2]" 1
30 1 13 VAL H 1 13 VAL HA 2.511 . 3.299 2.846 2.819 2.889 . 0 0 "[ . 1 . 2]" 1
31 1 13 VAL H 1 13 VAL HB 2.168 . 2.756 2.643 2.581 2.729 . 0 0 "[ . 1 . 2]" 1
32 1 13 VAL H 1 13 VAL QG 2.164 . 2.749 2.017 1.927 2.089 . 0 0 "[ . 1 . 2]" 1
33 1 13 VAL H 1 14 CYS H 3.298 . 4.657 4.426 4.353 4.468 . 0 0 "[ . 1 . 2]" 1
34 1 13 VAL H 1 14 CYS H 3.262 . 4.592 3.964 3.916 4.036 . 0 0 "[ . 1 . 2]" 1
35 1 13 VAL HA 1 13 VAL HB 2.810 . 3.797 2.971 2.437 3.040 . 0 0 "[ . 1 . 2]" 1
36 1 13 VAL HA 1 13 VAL QG 2.569 . 2.671 2.149 2.110 2.314 . 0 0 "[ . 1 . 2]" 1
37 1 13 VAL HA 1 14 CYS H 2.170 . 2.759 2.168 2.143 2.198 . 0 0 "[ . 1 . 2]" 1
38 1 13 VAL HA 1 46 ARG H 2.654 . 3.534 2.687 2.410 3.251 . 0 0 "[ . 1 . 2]" 1
39 1 13 VAL HA 1 46 ARG HB2 2.031 . 2.547 2.185 1.964 2.591 0.044 17 0 "[ . 1 . 2]" 1
40 1 13 VAL HA 1 46 ARG HB3 2.714 . 3.635 3.531 3.273 3.719 0.084 13 0 "[ . 1 . 2]" 1
41 1 13 VAL HB 1 13 VAL QG 2.000 . 2.500 1.896 1.889 1.899 . 0 0 "[ . 1 . 2]" 1
42 1 13 VAL HB 1 14 CYS H 3.219 . 4.514 4.264 4.189 4.344 . 0 0 "[ . 1 . 2]" 1
43 1 13 VAL QG 1 14 CYS H 2.399 . 3.118 2.908 2.835 2.993 . 0 0 "[ . 1 . 2]" 1
44 1 13 VAL QG 1 46 ARG H 3.226 . 5.500 3.865 3.668 4.149 . 0 0 "[ . 1 . 2]" 1
45 1 13 VAL QG 1 46 ARG HB2 2.666 . 3.554 2.512 2.159 3.341 . 0 0 "[ . 1 . 2]" 1
46 1 13 VAL QG 1 48 PRO HB2 2.792 . 5.500 4.251 3.734 4.682 . 0 0 "[ . 1 . 2]" 1
47 1 13 VAL QG 1 48 PRO HB3 2.775 . 3.737 2.944 2.411 3.424 . 0 0 "[ . 1 . 2]" 1
48 1 13 VAL QG 1 48 PRO HB3 2.371 . 3.074 2.626 2.211 2.939 . 0 0 "[ . 1 . 2]" 1
49 1 13 VAL QG 1 48 PRO HD3 2.837 . 3.843 2.878 2.570 3.218 . 0 0 "[ . 1 . 2]" 1
50 1 13 VAL QG 1 48 PRO QG 2.895 . 3.943 2.965 2.570 3.335 . 0 0 "[ . 1 . 2]" 1
51 1 14 CYS H 1 14 CYS HA 2.834 . 3.838 2.845 2.822 2.867 . 0 0 "[ . 1 . 2]" 1
52 1 14 CYS H 1 14 CYS QB 2.936 . 3.705 2.824 2.044 2.937 . 0 0 "[ . 1 . 2]" 1
53 1 14 CYS H 1 15 ASP H 3.366 . 4.782 4.581 4.533 4.617 . 0 0 "[ . 1 . 2]" 1
54 1 14 CYS H 1 45 CYS HA 3.414 . 4.871 4.790 4.621 4.934 0.063 16 0 "[ . 1 . 2]" 1
55 1 14 CYS H 1 45 CYS QB 3.172 . 4.430 2.744 2.636 2.873 . 0 0 "[ . 1 . 2]" 1
56 1 14 CYS H 1 46 ARG HB2 3.673 . 5.359 3.833 3.638 4.170 . 0 0 "[ . 1 . 2]" 1
57 1 14 CYS H 1 46 ARG HB3 3.538 . 5.103 4.868 4.344 5.170 0.067 8 0 "[ . 1 . 2]" 1
58 1 14 CYS H 1 48 PRO HD2 3.275 . 5.500 4.297 4.068 4.546 . 0 0 "[ . 1 . 2]" 1
59 1 14 CYS H 1 48 PRO HD3 3.012 . 4.146 3.027 2.757 3.253 . 0 0 "[ . 1 . 2]" 1
60 1 14 CYS HA 1 15 ASP H 2.263 . 2.903 2.199 2.106 2.260 . 0 0 "[ . 1 . 2]" 1
61 1 14 CYS HA 1 15 ASP HB2 2.629 . 3.493 3.179 2.723 3.392 . 0 0 "[ . 1 . 2]" 1
62 1 14 CYS HA 1 45 CYS QB 2.858 . 3.879 3.263 2.758 3.542 . 0 0 "[ . 1 . 2]" 1
63 1 14 CYS QB 1 15 ASP H 3.212 . 4.502 2.929 2.534 3.254 . 0 0 "[ . 1 . 2]" 1
64 1 14 CYS QB 1 15 ASP HB2 1.892 . 5.500 5.066 4.762 5.239 . 0 0 "[ . 1 . 2]" 1
65 1 14 CYS QB 1 18 LYS QB 2.757 . 3.707 3.415 2.849 3.596 . 0 0 "[ . 1 . 2]" 1
66 1 14 CYS QB 1 45 CYS HA 2.836 . 5.500 4.823 4.357 5.137 . 0 0 "[ . 1 . 2]" 1
67 1 14 CYS QB 1 45 CYS QB 2.669 . 3.559 2.513 2.102 2.824 . 0 0 "[ . 1 . 2]" 1
68 1 14 CYS QB 1 46 ARG H 3.424 . 5.500 4.334 3.937 5.318 . 0 0 "[ . 1 . 2]" 1
69 1 14 CYS QB 1 48 PRO HD2 3.216 . 4.509 4.119 2.957 4.406 . 0 0 "[ . 1 . 2]" 1
70 1 14 CYS QB 1 48 PRO HD3 3.289 . 4.641 4.048 2.937 4.431 . 0 0 "[ . 1 . 2]" 1
71 1 15 ASP H 1 15 ASP HA 2.613 . 3.467 2.815 2.784 2.846 . 0 0 "[ . 1 . 2]" 1
72 1 15 ASP H 1 15 ASP HB2 2.289 . 2.944 2.475 2.228 2.652 . 0 0 "[ . 1 . 2]" 1
73 1 15 ASP H 1 15 ASP HB3 2.493 . 3.270 2.634 2.403 2.821 . 0 0 "[ . 1 . 2]" 1
74 1 15 ASP H 1 16 LYS H 3.204 . 5.500 4.425 4.289 4.477 . 0 0 "[ . 1 . 2]" 1
75 1 15 ASP H 1 18 LYS QB 3.352 . 4.757 3.799 3.356 4.048 . 0 0 "[ . 1 . 2]" 1
76 1 15 ASP H 1 45 CYS QB 3.568 . 5.500 5.088 4.593 5.249 . 0 0 "[ . 1 . 2]" 1
77 1 15 ASP HA 1 15 ASP HB2 2.461 . 3.218 2.497 2.413 2.597 . 0 0 "[ . 1 . 2]" 1
78 1 15 ASP HA 1 15 ASP HB3 2.614 . 3.468 3.018 2.999 3.035 . 0 0 "[ . 1 . 2]" 1
79 1 15 ASP HA 1 16 LYS H 2.080 . 2.621 2.021 1.994 2.067 . 0 0 "[ . 1 . 2]" 1
80 1 15 ASP HA 1 16 LYS QG 2.684 . 3.584 3.571 3.486 3.653 0.069 17 0 "[ . 1 . 2]" 1
81 1 15 ASP HA 1 17 THR H 3.121 . 4.339 4.048 3.814 4.176 . 0 0 "[ . 1 . 2]" 1
82 1 15 ASP HB2 1 16 LYS H 3.237 . 4.547 4.192 4.058 4.332 . 0 0 "[ . 1 . 2]" 1
83 1 15 ASP HB3 1 18 LYS H 3.169 . 4.424 3.620 3.058 4.109 . 0 0 "[ . 1 . 2]" 1
84 1 15 ASP HB3 1 18 LYS HD3 2.385 . 3.096 3.007 2.413 3.392 0.296 7 0 "[ . 1 . 2]" 1
85 1 15 ASP HB3 1 18 LYS HG2 2.995 . 4.116 3.205 1.884 3.815 . 0 0 "[ . 1 . 2]" 1
86 1 16 LYS H 1 16 LYS HA 2.703 . 3.616 2.629 2.594 2.674 . 0 0 "[ . 1 . 2]" 1
87 1 16 LYS H 1 16 LYS HB2 2.561 . 5.500 3.549 3.515 3.573 . 0 0 "[ . 1 . 2]" 1
88 1 16 LYS H 1 16 LYS HB3 2.695 . 3.603 2.462 2.332 2.620 . 0 0 "[ . 1 . 2]" 1
89 1 16 LYS H 1 16 LYS HD3 2.709 . 5.500 4.258 3.422 4.688 . 0 0 "[ . 1 . 2]" 1
90 1 16 LYS H 1 16 LYS QG 2.357 . 3.051 2.118 1.927 2.274 . 0 0 "[ . 1 . 2]" 1
91 1 16 LYS H 1 17 THR H 2.745 . 3.687 3.208 3.115 3.278 . 0 0 "[ . 1 . 2]" 1
92 1 16 LYS H 1 17 THR HB 3.206 . 4.491 5.259 5.185 5.327 0.836 10 20 [*****-***+**********] 1
93 1 16 LYS H 1 17 THR MG 3.256 . 4.581 4.444 4.374 4.512 . 0 0 "[ . 1 . 2]" 1
94 1 16 LYS H 1 18 LYS H 3.465 . 4.966 4.576 4.396 4.718 . 0 0 "[ . 1 . 2]" 1
95 1 16 LYS H 1 94 ASP H 3.604 . 5.500 5.133 4.794 5.576 0.076 5 0 "[ . 1 . 2]" 1
96 1 16 LYS HA 1 16 LYS HB2 2.464 . 3.223 2.501 2.468 2.568 . 0 0 "[ . 1 . 2]" 1
97 1 16 LYS HA 1 16 LYS HB3 2.513 . 3.302 2.373 2.298 2.435 . 0 0 "[ . 1 . 2]" 1
98 1 16 LYS HA 1 16 LYS HB3 2.541 . 3.348 2.077 2.045 2.113 . 0 0 "[ . 1 . 2]" 1
99 1 16 LYS HA 1 16 LYS QG 2.549 . 5.500 3.350 3.279 3.431 . 0 0 "[ . 1 . 2]" 1
100 1 16 LYS HA 1 17 THR H 3.311 . 4.681 3.529 3.425 3.598 . 0 0 "[ . 1 . 2]" 1
101 1 16 LYS HA 1 18 LYS H 3.441 . 4.921 4.067 3.834 4.309 . 0 0 "[ . 1 . 2]" 1
102 1 16 LYS HA 1 93 GLY H 3.579 . 5.500 4.991 4.515 5.584 0.084 14 0 "[ . 1 . 2]" 1
103 1 16 LYS HA 1 93 GLY QA 2.614 . 3.468 2.386 1.825 2.959 . 0 0 "[ . 1 . 2]" 1
104 1 16 LYS HB2 1 16 LYS HD3 2.439 . 3.182 2.769 2.307 3.269 0.087 4 0 "[ . 1 . 2]" 1
105 1 16 LYS HB2 1 16 LYS QG 2.552 . 3.366 2.388 2.256 2.446 . 0 0 "[ . 1 . 2]" 1
106 1 16 LYS HB2 1 17 THR H 3.486 . 5.005 4.007 3.785 4.192 . 0 0 "[ . 1 . 2]" 1
107 1 16 LYS HB2 1 48 PRO QG 1.565 . 5.500 4.592 3.832 5.169 . 0 0 "[ . 1 . 2]" 1
108 1 16 LYS HB3 1 16 LYS HD3 2.637 . 5.500 3.056 2.338 3.686 . 0 0 "[ . 1 . 2]" 1
109 1 16 LYS HB3 1 16 LYS QG 2.638 . 3.508 2.249 2.151 2.429 . 0 0 "[ . 1 . 2]" 1
110 1 16 LYS HB3 1 93 GLY QA 2.818 . 3.811 2.902 2.541 3.544 . 0 0 "[ . 1 . 2]" 1
111 1 16 LYS HB3 1 94 ASP H 2.848 . 3.862 3.619 3.002 4.124 0.262 5 0 "[ . 1 . 2]" 1
112 1 16 LYS HD2 1 94 ASP H 3.499 . 5.029 3.602 2.830 3.987 . 0 0 "[ . 1 . 2]" 1
113 1 16 LYS HD3 1 16 LYS QE 2.320 . 2.993 2.326 2.172 2.387 . 0 0 "[ . 1 . 2]" 1
114 1 16 LYS HD3 1 16 LYS QE 2.152 . 2.731 2.169 2.039 2.300 . 0 0 "[ . 1 . 2]" 1
115 1 16 LYS HD3 1 16 LYS QG 1.779 . 2.632 2.344 2.279 2.389 . 0 0 "[ . 1 . 2]" 1
116 1 16 LYS QE 1 16 LYS QG 2.522 . 3.317 2.225 2.065 2.392 . 0 0 "[ . 1 . 2]" 1
117 1 16 LYS QE 1 17 THR MG 2.973 . 4.078 3.456 2.945 3.748 . 0 0 "[ . 1 . 2]" 1
118 1 16 LYS QG 1 17 THR H 2.876 . 3.910 2.724 2.163 3.355 . 0 0 "[ . 1 . 2]" 1
119 1 16 LYS QG 1 17 THR HA 2.733 . 5.500 4.109 3.339 5.032 . 0 0 "[ . 1 . 2]" 1
120 1 16 LYS QG 1 17 THR MG 2.112 . 5.500 3.421 2.853 4.125 . 0 0 "[ . 1 . 2]" 1
121 1 16 LYS QG 1 94 ASP H 3.315 . 5.500 4.031 3.372 4.565 . 0 0 "[ . 1 . 2]" 1
122 1 17 THR H 1 17 THR HA 2.806 . 3.790 2.922 2.912 2.933 . 0 0 "[ . 1 . 2]" 1
123 1 17 THR H 1 17 THR HB 2.694 . 3.602 2.368 2.326 2.395 . 0 0 "[ . 1 . 2]" 1
124 1 17 THR H 1 17 THR MG 2.318 . 2.990 1.973 1.900 2.048 . 0 0 "[ . 1 . 2]" 1
125 1 17 THR H 1 18 LYS H 2.386 . 3.098 2.307 2.155 2.506 . 0 0 "[ . 1 . 2]" 1
126 1 17 THR H 1 18 LYS H 2.163 . 2.748 2.129 1.965 2.326 . 0 0 "[ . 1 . 2]" 1
127 1 17 THR H 1 18 LYS QB 3.358 . 4.768 4.198 4.010 4.437 . 0 0 "[ . 1 . 2]" 1
128 1 17 THR H 1 19 PHE H 1.666 . 5.500 4.606 4.284 5.089 . 0 0 "[ . 1 . 2]" 1
129 1 17 THR HA 1 17 THR HB 2.688 . 3.591 2.498 2.468 2.520 . 0 0 "[ . 1 . 2]" 1
130 1 17 THR HA 1 17 THR MG 2.255 . 5.500 3.198 3.191 3.209 . 0 0 "[ . 1 . 2]" 1
131 1 17 THR HA 1 18 LYS H 3.046 . 4.206 3.246 3.061 3.362 . 0 0 "[ . 1 . 2]" 1
132 1 17 THR HA 1 19 PHE H 3.566 . 5.156 3.876 3.530 4.166 . 0 0 "[ . 1 . 2]" 1
133 1 17 THR HB 1 17 THR HG1 2.083 . 2.625 2.373 2.099 2.737 0.112 13 0 "[ . 1 . 2]" 1
134 1 17 THR MG 1 18 LYS H 3.105 . 4.310 3.056 2.736 3.355 . 0 0 "[ . 1 . 2]" 1
135 1 17 THR MG 1 18 LYS HD3 2.717 . 5.500 4.700 3.710 5.413 . 0 0 "[ . 1 . 2]" 1
136 1 17 THR MG 1 18 LYS HG2 2.633 . 3.500 3.319 2.933 3.774 0.274 20 0 "[ . 1 . 2]" 1
137 1 17 THR MG 1 19 PHE H 3.240 . 4.552 3.757 3.636 3.861 . 0 0 "[ . 1 . 2]" 1
138 1 18 LYS H 1 18 LYS HA 2.607 . 3.457 2.892 2.828 2.936 . 0 0 "[ . 1 . 2]" 1
139 1 18 LYS H 1 18 LYS QB 2.785 . 3.095 2.367 2.250 2.474 . 0 0 "[ . 1 . 2]" 1
140 1 18 LYS H 1 18 LYS HG2 2.762 . 3.716 3.372 2.250 3.951 0.235 20 0 "[ . 1 . 2]" 1
141 1 18 LYS H 1 19 PHE H 2.505 . 3.289 2.643 2.065 3.372 0.083 15 0 "[ . 1 . 2]" 1
142 1 18 LYS HA 1 18 LYS QB 2.410 . 3.136 2.320 2.289 2.357 . 0 0 "[ . 1 . 2]" 1
143 1 18 LYS HA 1 19 PHE H 2.642 . 3.515 2.694 2.417 2.789 . 0 0 "[ . 1 . 2]" 1
144 1 18 LYS HA 1 40 SER H 3.462 . 4.961 4.397 3.683 5.396 0.435 20 0 "[ . 1 . 2]" 1
145 1 18 LYS QB 1 18 LYS HG2 2.060 . 2.591 2.392 2.291 2.474 . 0 0 "[ . 1 . 2]" 1
146 1 18 LYS QB 1 19 PHE H 3.084 . 4.273 3.152 2.706 3.882 . 0 0 "[ . 1 . 2]" 1
147 1 18 LYS QB 1 39 PHE QB 3.077 . 4.260 3.633 2.308 3.960 . 0 0 "[ . 1 . 2]" 1
148 1 18 LYS QB 1 40 SER H 2.665 . 3.553 3.101 2.640 3.606 0.053 9 0 "[ . 1 . 2]" 1
149 1 18 LYS QB 1 41 GLY H 3.217 . 4.510 3.946 3.390 4.446 . 0 0 "[ . 1 . 2]" 1
150 1 18 LYS QB 1 42 THR H 3.695 . 5.500 3.992 3.469 4.750 . 0 0 "[ . 1 . 2]" 1
151 1 18 LYS HD3 1 18 LYS HE2 2.414 . 3.143 2.564 2.333 3.028 . 0 0 "[ . 1 . 2]" 1
152 1 18 LYS HD3 1 18 LYS HG2 2.243 . 2.872 2.791 2.390 3.015 0.143 16 0 "[ . 1 . 2]" 1
153 1 18 LYS HD3 1 41 GLY H 3.521 . 5.500 5.285 4.742 5.720 0.220 8 0 "[ . 1 . 2]" 1
154 1 18 LYS HD3 1 42 THR H 3.509 . 5.048 4.065 3.328 4.837 . 0 0 "[ . 1 . 2]" 1
155 1 18 LYS HE2 1 39 PHE QB 2.719 . 5.500 4.634 3.821 6.135 0.635 20 1 "[ . 1 . +]" 1
156 1 19 PHE H 1 19 PHE HA 2.877 . 3.911 2.875 2.806 2.924 . 0 0 "[ . 1 . 2]" 1
157 1 19 PHE H 1 19 PHE QB 2.475 . 3.241 2.792 2.067 3.241 . 0 0 "[ . 1 . 2]" 1
158 1 19 PHE H 1 19 PHE QD 3.146 . 4.383 3.008 2.260 4.094 . 0 0 "[ . 1 . 2]" 1
159 1 19 PHE H 1 20 THR H 3.218 . 5.500 4.421 4.211 4.545 . 0 0 "[ . 1 . 2]" 1
160 1 19 PHE H 1 20 THR H 3.078 . 4.262 3.910 3.799 3.962 . 0 0 "[ . 1 . 2]" 1
161 1 19 PHE H 1 95 LEU MD1 3.622 . 5.500 3.655 3.258 4.024 . 0 0 "[ . 1 . 2]" 1
162 1 19 PHE H 1 95 LEU MD2 3.344 . 4.742 4.928 4.596 5.155 0.413 7 0 "[ . 1 . 2]" 1
163 1 19 PHE HA 1 19 PHE QB 2.627 . 3.490 2.255 2.125 2.531 . 0 0 "[ . 1 . 2]" 1
164 1 19 PHE HA 1 20 THR H 2.247 . 2.878 2.399 2.197 2.492 . 0 0 "[ . 1 . 2]" 1
165 1 19 PHE HA 1 39 PHE HA 2.728 . 3.658 2.611 2.233 3.159 . 0 0 "[ . 1 . 2]" 1
166 1 19 PHE HA 1 40 SER H 3.382 . 5.500 4.079 3.337 5.233 . 0 0 "[ . 1 . 2]" 1
167 1 19 PHE QB 1 20 THR H 2.768 . 3.726 2.271 1.962 2.932 . 0 0 "[ . 1 . 2]" 1
168 1 19 PHE QB 1 39 PHE QB 2.387 . 5.500 4.447 2.328 5.378 . 0 0 "[ . 1 . 2]" 1
169 1 19 PHE QB 1 95 LEU MD1 3.100 . 4.160 2.580 1.751 3.339 0.147 11 0 "[ . 1 . 2]" 1
170 1 19 PHE QB 1 95 LEU MD2 2.800 . 3.780 2.383 1.832 2.650 0.068 15 0 "[ . 1 . 2]" 1
171 1 19 PHE QD 1 20 THR H 3.471 . 4.977 3.579 2.261 4.172 . 0 0 "[ . 1 . 2]" 1
172 1 19 PHE QD 1 21 TRP H 3.542 . 5.500 6.264 5.643 7.201 1.701 20 16 "[****.*** * ** *-***+]" 1
173 1 20 THR H 1 20 THR HA 2.746 . 3.688 2.897 2.843 2.932 . 0 0 "[ . 1 . 2]" 1
174 1 20 THR H 1 20 THR HB 3.343 . 4.740 3.503 3.266 3.849 . 0 0 "[ . 1 . 2]" 1
175 1 20 THR H 1 20 THR MG 2.757 . 3.707 2.646 2.292 3.309 . 0 0 "[ . 1 . 2]" 1
176 1 20 THR H 1 37 VAL HA 3.208 . 4.494 3.975 3.654 4.286 . 0 0 "[ . 1 . 2]" 1
177 1 20 THR H 1 37 VAL HB 3.094 . 4.291 3.383 3.007 3.811 . 0 0 "[ . 1 . 2]" 1
178 1 20 THR H 1 37 VAL QG 3.523 . 5.075 3.546 2.774 4.027 . 0 0 "[ . 1 . 2]" 1
179 1 20 THR H 1 38 GLY H 2.653 . 3.533 2.367 2.152 2.664 . 0 0 "[ . 1 . 2]" 1
180 1 20 THR H 1 38 GLY HA3 3.752 . 5.511 4.029 3.532 4.247 . 0 0 "[ . 1 . 2]" 1
181 1 20 THR H 1 39 PHE HA 3.303 . 4.667 4.315 3.797 4.624 . 0 0 "[ . 1 . 2]" 1
182 1 20 THR H 1 95 LEU MD1 3.135 . 4.364 3.469 3.212 3.677 . 0 0 "[ . 1 . 2]" 1
183 1 20 THR H 1 95 LEU MD2 3.027 . 4.172 3.176 2.891 3.378 . 0 0 "[ . 1 . 2]" 1
184 1 20 THR HA 1 20 THR HB 2.336 . 3.018 2.488 2.425 2.558 . 0 0 "[ . 1 . 2]" 1
185 1 20 THR HA 1 20 THR MG 2.183 . 5.500 2.874 2.286 3.118 . 0 0 "[ . 1 . 2]" 1
186 1 20 THR HA 1 21 TRP H 2.186 . 2.783 2.388 2.290 2.499 . 0 0 "[ . 1 . 2]" 1
187 1 20 THR HA 1 22 LYS H 3.693 . 5.397 5.158 4.979 5.425 0.028 10 0 "[ . 1 . 2]" 1
188 1 20 THR HA 1 95 LEU MD1 2.404 . 5.500 2.096 1.942 2.724 . 0 0 "[ . 1 . 2]" 1
189 1 20 THR HA 1 95 LEU MD2 3.053 . 3.205 2.850 2.597 3.271 0.066 17 0 "[ . 1 . 2]" 1
190 1 20 THR HB 1 20 THR HG1 2.039 . 2.559 2.455 2.122 2.843 0.284 13 0 "[ . 1 . 2]" 1
191 1 20 THR HB 1 20 THR MG 2.102 . 2.654 2.128 2.113 2.137 . 0 0 "[ . 1 . 2]" 1
192 1 20 THR HB 1 21 TRP H 2.356 . 5.500 3.572 2.556 3.990 . 0 0 "[ . 1 . 2]" 1
193 1 20 THR MG 1 38 GLY H 3.641 . 5.298 3.082 2.307 4.736 . 0 0 "[ . 1 . 2]" 1
194 1 21 TRP H 1 21 TRP HA 2.927 . 3.998 2.877 2.841 2.903 . 0 0 "[ . 1 . 2]" 1
195 1 21 TRP H 1 21 TRP HB2 2.509 . 3.296 2.438 2.269 2.567 . 0 0 "[ . 1 . 2]" 1
196 1 21 TRP H 1 21 TRP HB3 2.722 . 3.648 3.602 3.545 3.635 . 0 0 "[ . 1 . 2]" 1
197 1 21 TRP H 1 22 LYS H 3.566 . 4.533 4.150 3.996 4.458 . 0 0 "[ . 1 . 2]" 1
198 1 21 TRP H 1 22 LYS HA 3.389 . 5.500 5.250 5.144 5.387 . 0 0 "[ . 1 . 2]" 1
199 1 21 TRP H 1 95 LEU MD1 2.759 . 5.500 3.480 3.026 4.150 . 0 0 "[ . 1 . 2]" 1
200 1 21 TRP H 1 95 LEU MD2 2.845 . 5.500 2.978 2.742 3.496 . 0 0 "[ . 1 . 2]" 1
201 1 21 TRP H 1 95 LEU HG 2.656 . 3.538 4.047 3.876 4.239 0.701 12 11 "[ * * - **+* * * **]" 1
202 1 21 TRP HA 1 21 TRP HB2 2.740 . 3.678 3.023 2.994 3.034 . 0 0 "[ . 1 . 2]" 1
203 1 21 TRP HA 1 21 TRP HB3 2.614 . 3.468 2.508 2.432 2.627 . 0 0 "[ . 1 . 2]" 1
204 1 21 TRP HA 1 22 LYS H 2.422 . 3.155 2.189 2.036 2.300 . 0 0 "[ . 1 . 2]" 1
205 1 21 TRP HA 1 22 LYS QG 2.249 . 5.500 5.758 5.681 5.853 0.353 13 0 "[ . 1 . 2]" 1
206 1 21 TRP HA 1 23 ARG H 2.960 . 4.055 3.625 3.300 4.031 . 0 0 "[ . 1 . 2]" 1
207 1 21 TRP HA 1 37 VAL QG 2.838 . 5.500 2.955 2.637 3.419 . 0 0 "[ . 1 . 2]" 1
208 1 21 TRP HA 1 38 GLY H 3.340 . 4.734 4.372 4.142 4.746 0.012 1 0 "[ . 1 . 2]" 1
209 1 21 TRP HB3 1 22 LYS H 3.264 . 4.596 3.828 3.345 4.063 . 0 0 "[ . 1 . 2]" 1
210 1 21 TRP HB3 1 24 ALA H 3.664 . 5.342 3.933 2.814 4.722 . 0 0 "[ . 1 . 2]" 1
211 1 21 TRP HB3 1 97 HIS QB 2.745 . 5.500 4.990 4.147 5.301 . 0 0 "[ . 1 . 2]" 1
212 1 21 TRP HE1 1 95 LEU QB 3.204 . 4.487 3.421 2.555 4.092 . 0 0 "[ . 1 . 2]" 1
213 1 21 TRP HE1 1 95 LEU MD1 2.699 . 5.500 4.432 3.905 4.907 . 0 0 "[ . 1 . 2]" 1
214 1 21 TRP HE1 1 95 LEU MD2 2.857 . 5.500 3.624 3.105 4.235 . 0 0 "[ . 1 . 2]" 1
215 1 21 TRP HE1 1 95 LEU HG 2.812 . 3.801 2.971 2.557 3.416 . 0 0 "[ . 1 . 2]" 1
216 1 21 TRP HE1 1 97 HIS QB 3.011 . 4.145 2.790 2.582 3.074 . 0 0 "[ . 1 . 2]" 1
217 1 22 LYS H 1 22 LYS QB 2.589 . 3.427 2.288 2.179 2.450 . 0 0 "[ . 1 . 2]" 1
218 1 22 LYS H 1 37 VAL HA 2.567 . 3.391 2.287 1.976 2.503 . 0 0 "[ . 1 . 2]" 1
219 1 22 LYS H 1 37 VAL QG 2.990 . 4.107 3.075 2.890 3.204 . 0 0 "[ . 1 . 2]" 1
220 1 22 LYS H 1 38 GLY H 3.031 . 4.179 3.430 2.981 4.191 0.012 4 0 "[ . 1 . 2]" 1
221 1 22 LYS H 1 38 GLY H 2.899 . 3.950 3.287 2.937 3.810 . 0 0 "[ . 1 . 2]" 1
222 1 22 LYS HA 1 22 LYS QB 2.286 . 5.500 2.399 2.356 2.448 . 0 0 "[ . 1 . 2]" 1
223 1 22 LYS HA 1 22 LYS QG 2.363 . 3.061 2.528 2.152 2.977 . 0 0 "[ . 1 . 2]" 1
224 1 22 LYS HA 1 23 ARG H 2.581 . 3.414 2.778 2.758 2.802 . 0 0 "[ . 1 . 2]" 1
225 1 22 LYS HA 1 23 ARG HA 1.732 . 5.500 4.568 4.529 4.641 . 0 0 "[ . 1 . 2]" 1
226 1 22 LYS QB 1 36 GLU QG 2.500 . 3.281 2.592 1.617 3.304 0.102 15 0 "[ . 1 . 2]" 1
227 1 22 LYS QB 1 38 GLY HA2 2.588 . 3.425 3.799 3.144 4.215 0.790 6 8 "[* * .+* *1 * . - *]" 1
228 1 22 LYS QB 1 38 GLY HA3 2.409 . 3.135 3.354 2.776 3.688 0.553 10 1 "[ . + . 2]" 1
229 1 22 LYS QB 1 22 LYS QG . . 2.240 2.039 1.978 2.077 . 0 0 "[ . 1 . 2]" 1
230 1 22 LYS QB 1 23 ARG H 2.592 . 3.409 2.322 2.059 2.465 . 0 0 "[ . 1 . 2]" 1
231 1 22 LYS QB 1 23 ARG HB3 2.671 . 3.563 3.979 3.732 4.056 0.493 10 0 "[ . 1 . 2]" 1
232 1 22 LYS QB 1 36 GLU HA 2.114 . 5.500 3.698 3.547 3.941 . 0 0 "[ . 1 . 2]" 1
233 1 22 LYS QB 1 37 VAL QG 2.417 . 5.500 3.383 3.144 3.596 . 0 0 "[ . 1 . 2]" 1
234 1 22 LYS QB 1 36 GLU HB3 3.249 . 4.568 2.101 1.739 2.525 0.191 10 0 "[ . 1 . 2]" 1
235 1 22 LYS QB 1 36 GLU QG 2.864 . 3.889 2.758 1.619 3.686 0.220 15 0 "[ . 1 . 2]" 1
236 1 22 LYS QB 1 37 VAL HA . . 2.693 2.732 2.415 3.018 0.325 15 0 "[ . 1 . 2]" 1
237 1 22 LYS QB 1 37 VAL QG 2.226 . 5.500 3.505 3.005 3.683 . 0 0 "[ . 1 . 2]" 1
238 1 22 LYS QB 1 38 GLY H 3.044 . 5.500 3.241 2.840 3.528 . 0 0 "[ . 1 . 2]" 1
239 1 22 LYS HD2 1 22 LYS HE2 2.327 . 3.004 2.650 2.362 3.024 0.020 1 0 "[ . 1 . 2]" 1
240 1 22 LYS HE2 1 22 LYS QG 2.578 . 3.409 2.583 2.288 3.417 0.008 6 0 "[ . 1 . 2]" 1
241 1 22 LYS QG 1 23 ARG HA 2.686 . 5.500 4.571 4.277 4.883 . 0 0 "[ . 1 . 2]" 1
242 1 22 LYS QG 1 36 GLU HB3 3.008 . 4.139 2.822 2.214 3.344 . 0 0 "[ . 1 . 2]" 1
243 1 23 ARG H 1 23 ARG HB3 2.837 . 3.843 2.863 2.685 2.981 . 0 0 "[ . 1 . 2]" 1
244 1 23 ARG H 1 24 ALA H 2.980 . 4.090 4.047 3.573 4.161 0.071 12 0 "[ . 1 . 2]" 1
245 1 23 ARG H 1 36 GLU H 2.561 . 3.381 2.858 2.724 3.015 . 0 0 "[ . 1 . 2]" 1
246 1 23 ARG H 1 36 GLU HB2 2.909 . 3.967 3.604 2.641 4.037 0.070 11 0 "[ . 1 . 2]" 1
247 1 23 ARG H 1 36 GLU HB3 2.785 . 3.754 2.560 2.184 3.047 . 0 0 "[ . 1 . 2]" 1
248 1 23 ARG H 1 36 GLU QG 3.132 . 5.500 4.206 3.432 4.584 . 0 0 "[ . 1 . 2]" 1
249 1 23 ARG H 1 37 VAL HA 3.158 . 4.404 3.738 3.554 3.853 . 0 0 "[ . 1 . 2]" 1
250 1 23 ARG HA 1 23 ARG HB2 2.345 . 3.032 2.490 2.370 2.554 . 0 0 "[ . 1 . 2]" 1
251 1 23 ARG HA 1 23 ARG HG2 2.337 . 3.020 3.016 2.627 3.480 0.460 1 0 "[ . 1 . 2]" 1
252 1 23 ARG HA 1 24 ALA H 1.911 . 2.368 1.931 1.876 1.974 . 0 0 "[ . 1 . 2]" 1
253 1 23 ARG HB2 1 24 ALA H 2.643 . 3.516 3.062 2.518 3.747 0.231 11 0 "[ . 1 . 2]" 1
254 1 23 ARG HB2 1 36 GLU HB2 2.781 . 3.747 3.152 2.500 3.756 0.009 8 0 "[ . 1 . 2]" 1
255 1 23 ARG HB2 1 36 GLU HB3 2.827 . 3.826 3.022 2.437 3.833 0.007 5 0 "[ . 1 . 2]" 1
256 1 23 ARG HB3 1 23 ARG HD2 2.718 . 3.642 2.848 2.402 3.719 0.077 1 0 "[ . 1 . 2]" 1
257 1 23 ARG HB3 1 23 ARG HD3 2.765 . 3.720 3.197 2.508 3.729 0.009 11 0 "[ . 1 . 2]" 1
258 1 23 ARG HB3 1 24 ALA H 2.911 . 5.500 4.196 4.059 4.430 . 0 0 "[ . 1 . 2]" 1
259 1 23 ARG HB3 1 24 ALA H 2.935 . 4.012 3.836 3.712 3.962 . 0 0 "[ . 1 . 2]" 1
260 1 23 ARG HB3 1 36 GLU H 2.757 . 3.578 2.614 2.114 3.097 . 0 0 "[ . 1 . 2]" 1
261 1 23 ARG HB3 1 36 GLU QG 2.813 . 5.500 3.949 3.340 4.228 . 0 0 "[ . 1 . 2]" 1
262 1 23 ARG HD2 1 23 ARG HG2 2.223 . 2.841 2.609 2.315 3.015 0.174 8 0 "[ . 1 . 2]" 1
263 1 23 ARG HD2 1 26 THR MG 3.162 . 5.500 3.868 2.685 4.644 . 0 0 "[ . 1 . 2]" 1
264 1 23 ARG HG2 1 36 GLU QB 2.381 . 5.500 4.058 3.415 4.294 . 0 0 "[ . 1 . 2]" 1
265 1 24 ALA H 1 24 ALA HA 2.634 . 3.501 2.843 2.673 2.887 . 0 0 "[ . 1 . 2]" 1
266 1 24 ALA HA 1 25 PRO HD2 2.281 . 2.931 2.433 2.194 2.746 . 0 0 "[ . 1 . 2]" 1
267 1 24 ALA HA 1 25 PRO HD3 2.310 . 2.977 2.648 2.309 2.928 . 0 0 "[ . 1 . 2]" 1
268 1 24 ALA HA 1 25 PRO HG2 2.281 . 5.500 4.576 4.322 4.761 . 0 0 "[ . 1 . 2]" 1
269 1 24 ALA HA 1 25 PRO HG3 3.301 . 4.663 4.704 4.477 4.802 0.139 14 0 "[ . 1 . 2]" 1
270 1 25 PRO HA 1 25 PRO HB3 2.820 . 3.814 2.270 2.251 2.304 . 0 0 "[ . 1 . 2]" 1
271 1 25 PRO HA 1 26 THR H 2.023 . 2.534 1.935 1.869 1.961 . 0 0 "[ . 1 . 2]" 1
272 1 25 PRO HA 1 26 THR MG 2.077 . 5.500 5.377 5.333 5.403 . 0 0 "[ . 1 . 2]" 1
273 1 25 PRO HA 1 33 VAL QG 2.771 . 3.731 3.038 2.634 3.369 . 0 0 "[ . 1 . 2]" 1
274 1 25 PRO HA 1 35 MET HB2 2.561 . 3.381 3.057 2.661 3.461 0.080 1 0 "[ . 1 . 2]" 1
275 1 25 PRO HA 1 35 MET HB3 3.119 . 4.052 2.708 2.159 3.518 . 0 0 "[ . 1 . 2]" 1
276 1 25 PRO HA 1 36 GLU H 3.446 . 4.931 5.079 5.017 5.150 0.219 19 0 "[ . 1 . 2]" 1
277 1 25 PRO HB2 1 27 ASP H 3.566 . 5.500 5.427 5.112 5.630 0.130 12 0 "[ . 1 . 2]" 1
278 1 25 PRO HB3 1 25 PRO HD3 2.725 . 3.653 3.360 3.090 3.910 0.257 7 0 "[ . 1 . 2]" 1
279 1 25 PRO HB3 1 25 PRO HG3 2.371 . 3.074 2.286 2.261 2.308 . 0 0 "[ . 1 . 2]" 1
280 1 25 PRO HB3 1 26 THR H 2.914 . 3.975 3.298 3.216 3.496 . 0 0 "[ . 1 . 2]" 1
281 1 25 PRO HB3 1 90 ILE HG13 2.374 . 3.078 2.508 2.201 3.417 0.339 12 0 "[ . 1 . 2]" 1
282 1 25 PRO HD2 1 89 ILE HA 2.937 . 5.500 5.387 4.808 5.608 0.108 13 0 "[ . 1 . 2]" 1
283 1 25 PRO HD2 1 90 ILE HG13 2.683 . 5.500 4.931 4.677 5.225 . 0 0 "[ . 1 . 2]" 1
284 1 25 PRO HD3 1 35 MET HB3 3.101 . 4.303 3.631 2.904 4.344 0.041 4 0 "[ . 1 . 2]" 1
285 1 25 PRO HD3 1 35 MET QG 3.045 . 4.204 4.345 4.129 4.538 0.334 18 0 "[ . 1 . 2]" 1
286 1 25 PRO HD3 1 90 ILE MD 3.347 . 4.747 2.555 2.063 3.374 . 0 0 "[ . 1 . 2]" 1
287 1 25 PRO HD3 1 90 ILE HG13 2.528 . 5.500 4.012 3.620 4.654 . 0 0 "[ . 1 . 2]" 1
288 1 25 PRO HG2 1 89 ILE HG12 2.460 . 5.500 4.267 3.439 4.659 . 0 0 "[ . 1 . 2]" 1
289 1 25 PRO HG2 1 90 ILE HG13 2.736 . 3.671 3.689 3.125 3.861 0.190 19 0 "[ . 1 . 2]" 1
290 1 25 PRO HG2 1 98 GLN HA 2.219 . 5.500 4.226 3.870 4.567 . 0 0 "[ . 1 . 2]" 1
291 1 25 PRO HG3 1 89 ILE H 3.282 . 5.500 3.749 3.693 3.831 . 0 0 "[ . 1 . 2]" 1
292 1 25 PRO HG3 1 98 GLN HA 2.360 . 3.056 2.456 2.327 2.564 . 0 0 "[ . 1 . 2]" 1
293 1 25 PRO HG3 1 89 ILE HB 2.584 . 5.500 5.123 4.716 5.990 0.490 17 0 "[ . 1 . 2]" 1
294 1 25 PRO HG3 1 89 ILE MD 2.145 . 5.500 5.097 4.876 5.695 0.195 12 0 "[ . 1 . 2]" 1
295 1 25 PRO HG3 1 89 ILE MG 2.593 . 5.500 5.715 5.428 6.329 0.829 17 5 "[ - * * 1 * . + 2]" 1
296 1 25 PRO HG3 1 90 ILE H 3.588 . 5.197 2.284 1.966 3.105 0.013 1 0 "[ . 1 . 2]" 1
297 1 25 PRO HG3 1 90 ILE HG13 2.240 . 2.867 2.313 2.165 2.467 . 0 0 "[ . 1 . 2]" 1
298 1 26 THR H 1 26 THR HA 2.783 . 3.751 2.938 2.928 2.945 . 0 0 "[ . 1 . 2]" 1
299 1 26 THR H 1 26 THR HB 2.773 . 3.734 2.557 2.515 2.622 . 0 0 "[ . 1 . 2]" 1
300 1 26 THR H 1 26 THR HG1 2.539 . 5.500 3.096 2.964 3.284 . 0 0 "[ . 1 . 2]" 1
301 1 26 THR H 1 27 ASP H 2.679 . 3.576 3.973 3.947 3.997 0.421 19 0 "[ . 1 . 2]" 1
302 1 26 THR H 1 27 ASP HA 3.372 . 5.500 4.892 4.739 5.005 . 0 0 "[ . 1 . 2]" 1
303 1 26 THR H 1 35 MET HA 2.960 . 4.055 3.399 3.282 3.577 . 0 0 "[ . 1 . 2]" 1
304 1 26 THR HA 1 26 THR HB 2.526 . 3.323 3.019 3.013 3.026 . 0 0 "[ . 1 . 2]" 1
305 1 26 THR HA 1 26 THR HG1 2.333 . 3.013 2.798 2.708 2.944 . 0 0 "[ . 1 . 2]" 1
306 1 26 THR HA 1 27 ASP H 2.194 . 2.796 2.199 2.128 2.263 . 0 0 "[ . 1 . 2]" 1
307 1 26 THR HA 1 33 VAL QG 2.619 . 5.500 3.292 3.048 3.543 . 0 0 "[ . 1 . 2]" 1
308 1 26 THR HA 1 99 TRP HB2 2.861 . 5.500 5.105 4.269 5.592 0.092 20 0 "[ . 1 . 2]" 1
309 1 26 THR HB 1 26 THR MG 2.050 . 2.576 2.122 2.109 2.128 . 0 0 "[ . 1 . 2]" 1
310 1 26 THR HB 1 27 ASP H 2.672 . 5.500 4.170 4.007 4.289 . 0 0 "[ . 1 . 2]" 1
311 1 26 THR HB 1 34 VAL QG 2.633 . 3.500 2.653 2.379 2.969 . 0 0 "[ . 1 . 2]" 1
312 1 26 THR MG 1 27 ASP H 2.462 . 5.500 2.509 2.271 2.799 . 0 0 "[ . 1 . 2]" 1
313 1 26 THR MG 1 27 ASP QB 3.080 . 4.266 3.550 3.312 3.773 . 0 0 "[ . 1 . 2]" 1
314 1 26 THR MG 1 28 SER H 3.655 . 5.325 4.575 4.447 4.732 . 0 0 "[ . 1 . 2]" 1
315 1 26 THR MG 1 33 VAL HA 1.950 . 5.500 4.863 4.702 4.971 . 0 0 "[ . 1 . 2]" 1
316 1 26 THR MG 1 34 VAL QG 2.086 . 2.836 2.850 2.779 2.954 0.118 11 0 "[ . 1 . 2]" 1
317 1 27 ASP H 1 27 ASP HA 2.534 . 3.337 2.819 2.790 2.858 . 0 0 "[ . 1 . 2]" 1
318 1 27 ASP H 1 27 ASP QB 2.046 . 2.569 2.388 2.160 2.671 0.102 1 0 "[ . 1 . 2]" 1
319 1 27 ASP H 1 28 SER H 3.375 . 4.643 4.584 4.528 4.665 0.022 6 0 "[ . 1 . 2]" 1
320 1 27 ASP H 1 33 VAL QG 3.769 . 5.477 3.158 2.951 3.383 . 0 0 "[ . 1 . 2]" 1
321 1 27 ASP HA 1 28 SER H 2.059 . 2.589 1.938 1.897 1.962 . 0 0 "[ . 1 . 2]" 1
322 1 27 ASP QB 1 28 SER H 2.899 . 5.500 3.444 3.032 3.801 . 0 0 "[ . 1 . 2]" 1
323 1 27 ASP QB 1 29 GLY H 3.231 . 4.536 3.502 2.568 4.348 . 0 0 "[ . 1 . 2]" 1
324 1 27 ASP QB 1 33 VAL QG 2.668 . 5.500 3.430 2.884 3.848 . 0 0 "[ . 1 . 2]" 1
325 1 28 SER H 1 28 SER HA 2.656 . 3.538 2.812 2.733 2.884 . 0 0 "[ . 1 . 2]" 1
326 1 28 SER H 1 28 SER HB2 2.592 . 5.500 3.535 3.502 3.567 . 0 0 "[ . 1 . 2]" 1
327 1 28 SER H 1 32 THR H 2.702 . 3.615 2.874 2.695 3.167 . 0 0 "[ . 1 . 2]" 1
328 1 28 SER H 1 30 HIS H 3.282 . 4.629 3.961 3.437 4.452 . 0 0 "[ . 1 . 2]" 1
329 1 28 SER H 1 32 THR H 2.937 . 4.015 3.246 2.773 3.741 . 0 0 "[ . 1 . 2]" 1
330 1 28 SER H 1 33 VAL HA 2.961 . 4.057 2.208 1.808 2.913 0.057 20 0 "[ . 1 . 2]" 1
331 1 28 SER H 1 33 VAL QG 3.613 . 5.245 3.369 2.987 3.915 . 0 0 "[ . 1 . 2]" 1
332 1 28 SER H 1 34 VAL H 3.227 . 4.529 3.322 3.065 3.695 . 0 0 "[ . 1 . 2]" 1
333 1 28 SER H 1 34 VAL QG 3.062 . 4.019 3.246 3.054 3.413 . 0 0 "[ . 1 . 2]" 1
334 1 28 SER HA 1 28 SER HB2 2.474 . 3.239 2.425 2.374 2.481 . 0 0 "[ . 1 . 2]" 1
335 1 28 SER HA 1 28 SER QB 2.169 . 2.757 2.210 2.200 2.217 . 0 0 "[ . 1 . 2]" 1
336 1 28 SER HA 1 29 GLY H 3.034 . 4.184 3.379 3.139 3.530 . 0 0 "[ . 1 . 2]" 1
337 1 28 SER HA 1 30 HIS H 3.865 . 5.732 4.328 3.905 4.805 . 0 0 "[ . 1 . 2]" 1
338 1 28 SER HA 1 34 VAL QG 2.279 . 2.928 2.111 1.848 2.406 0.005 1 0 "[ . 1 . 2]" 1
339 1 28 SER QB 1 65 ILE HG12 2.805 . 5.500 5.507 5.437 5.543 0.043 2 0 "[ . 1 . 2]" 1
340 1 28 SER HB2 1 29 GLY H 3.382 . 4.812 3.958 3.343 4.518 . 0 0 "[ . 1 . 2]" 1
341 1 28 SER HB2 1 32 THR H 2.989 . 5.500 4.913 4.537 5.551 0.051 12 0 "[ . 1 . 2]" 1
342 1 28 SER HB2 1 34 VAL QG 2.832 . 3.042 2.439 2.135 2.608 . 0 0 "[ . 1 . 2]" 1
343 1 28 SER HB3 1 30 HIS H 3.161 . 4.410 4.074 3.895 4.337 . 0 0 "[ . 1 . 2]" 1
344 1 28 SER HB3 1 34 VAL QG 2.938 . 4.017 1.978 1.718 2.194 0.141 11 0 "[ . 1 . 2]" 1
345 1 28 SER HB3 1 65 ILE HG12 2.766 . 5.500 5.775 5.710 5.820 0.320 7 0 "[ . 1 . 2]" 1
346 1 29 GLY H 1 29 GLY HA2 2.450 . 3.200 2.436 2.278 2.610 . 0 0 "[ . 1 . 2]" 1
347 1 29 GLY H 1 29 GLY HA3 2.349 . 3.039 2.890 2.795 2.954 . 0 0 "[ . 1 . 2]" 1
348 1 29 GLY H 1 30 HIS H 2.313 . 2.981 2.452 1.765 3.102 0.121 7 0 "[ . 1 . 2]" 1
349 1 29 GLY H 1 31 ASP H 2.930 . 4.003 3.605 2.430 4.279 0.276 7 0 "[ . 1 . 2]" 1
350 1 29 GLY H 1 32 THR H 3.440 . 4.920 3.532 2.889 4.361 . 0 0 "[ . 1 . 2]" 1
351 1 29 GLY HA2 1 30 HIS H 2.676 . 3.571 3.414 3.303 3.510 . 0 0 "[ . 1 . 2]" 1
352 1 29 GLY HA3 1 30 HIS H 2.982 . 4.093 3.089 2.970 3.253 . 0 0 "[ . 1 . 2]" 1
353 1 30 HIS H 1 30 HIS HA 2.671 . 3.563 2.929 2.872 2.951 . 0 0 "[ . 1 . 2]" 1
354 1 30 HIS H 1 30 HIS HB2 2.943 . 4.026 2.651 2.298 3.134 . 0 0 "[ . 1 . 2]" 1
355 1 30 HIS H 1 30 HIS HB3 3.086 . 4.277 3.194 2.517 3.737 . 0 0 "[ . 1 . 2]" 1
356 1 30 HIS H 1 31 ASP H 2.334 . 3.015 2.829 2.234 3.139 0.124 4 0 "[ . 1 . 2]" 1
357 1 30 HIS H 1 32 THR H 2.698 . 3.608 3.317 2.974 3.584 . 0 0 "[ . 1 . 2]" 1
358 1 30 HIS HA 1 30 HIS HB2 2.342 . 3.028 2.785 2.466 3.032 0.004 20 0 "[ . 1 . 2]" 1
359 1 30 HIS HA 1 30 HIS HB3 2.277 . 2.925 2.770 2.398 3.033 0.108 19 0 "[ . 1 . 2]" 1
360 1 30 HIS HA 1 31 ASP H 2.552 . 5.500 2.814 2.374 3.498 . 0 0 "[ . 1 . 2]" 1
361 1 30 HIS HB2 1 31 ASP H 3.595 . 5.211 4.241 2.861 4.628 . 0 0 "[ . 1 . 2]" 1
362 1 30 HIS HB3 1 31 ASP H 3.498 . 5.027 4.210 3.693 4.401 . 0 0 "[ . 1 . 2]" 1
363 1 31 ASP H 1 31 ASP HB2 2.952 . 4.041 3.385 2.930 4.207 0.166 8 0 "[ . 1 . 2]" 1
364 1 31 ASP H 1 31 ASP HB3 2.884 . 3.923 3.894 3.614 4.188 0.265 13 0 "[ . 1 . 2]" 1
365 1 31 ASP H 1 32 THR H 2.409 . 3.134 2.641 1.696 3.007 . 0 0 "[ . 1 . 2]" 1
366 1 31 ASP HA 1 31 ASP HB2 2.304 . 2.968 2.789 2.360 3.027 0.059 12 0 "[ . 1 . 2]" 1
367 1 31 ASP HA 1 31 ASP HB3 2.531 . 3.332 2.724 2.450 3.032 . 0 0 "[ . 1 . 2]" 1
368 1 31 ASP HA 1 32 THR H 2.430 . 3.168 2.761 2.462 3.075 . 0 0 "[ . 1 . 2]" 1
369 1 31 ASP HB2 1 32 THR H 3.249 . 4.569 4.419 4.164 4.624 0.055 3 0 "[ . 1 . 2]" 1
370 1 31 ASP HB3 1 32 THR H 3.557 . 5.138 4.323 4.026 4.516 . 0 0 "[ . 1 . 2]" 1
371 1 32 THR H 1 32 THR HA 2.802 . 3.783 2.864 2.835 2.882 . 0 0 "[ . 1 . 2]" 1
372 1 32 THR H 1 32 THR HB 3.332 . 4.720 3.852 3.807 3.909 . 0 0 "[ . 1 . 2]" 1
373 1 32 THR H 1 32 THR HG1 2.651 . 3.530 3.645 3.030 3.784 0.254 7 0 "[ . 1 . 2]" 1
374 1 32 THR H 1 33 VAL H 3.400 . 4.845 4.305 4.254 4.350 . 0 0 "[ . 1 . 2]" 1
375 1 32 THR HA 1 33 VAL H 2.464 . 3.223 2.743 2.544 2.892 . 0 0 "[ . 1 . 2]" 1
376 1 32 THR HA 1 81 MET H 3.743 . 5.494 5.864 5.561 6.127 0.633 6 4 "[* .+ 1 . - *]" 1
377 1 32 THR HB 1 32 THR HG1 2.293 . 2.950 2.120 2.092 2.271 . 0 0 "[ . 1 . 2]" 1
378 1 32 THR HB 1 32 THR MG 2.440 . 3.184 2.130 2.121 2.138 . 0 0 "[ . 1 . 2]" 1
379 1 32 THR HB 1 33 VAL H 2.330 . 3.008 1.986 1.734 2.480 . 0 0 "[ . 1 . 2]" 1
380 1 32 THR HB 1 34 VAL QG 3.246 . 5.500 4.302 4.107 4.466 . 0 0 "[ . 1 . 2]" 1
381 1 32 THR HB 1 80 GLU HB3 2.576 . 5.500 3.827 3.371 4.207 . 0 0 "[ . 1 . 2]" 1
382 1 32 THR HB 1 81 MET H 3.194 . 4.469 4.285 4.073 4.453 . 0 0 "[ . 1 . 2]" 1
383 1 32 THR HG1 1 65 ILE MD 2.226 . 5.500 4.313 4.037 4.586 . 0 0 "[ . 1 . 2]" 1
384 1 32 THR HG1 1 65 ILE HG12 2.277 . 5.500 4.387 4.186 4.656 . 0 0 "[ . 1 . 2]" 1
385 1 32 THR HG1 1 81 MET H 3.022 . 5.500 5.547 5.388 5.612 0.112 16 0 "[ . 1 . 2]" 1
386 1 32 THR MG 1 33 VAL H 2.412 . 3.139 2.831 2.683 2.904 . 0 0 "[ . 1 . 2]" 1
387 1 32 THR MG 1 81 MET HA 2.463 . 5.500 4.631 4.412 4.877 . 0 0 "[ . 1 . 2]" 1
388 1 32 THR MG 1 82 GLN HA 2.135 . 5.500 3.728 3.379 3.986 . 0 0 "[ . 1 . 2]" 1
389 1 32 THR MG 1 65 ILE HA 2.737 . 5.500 4.403 4.229 4.581 . 0 0 "[ . 1 . 2]" 1
390 1 32 THR MG 1 65 ILE MD 2.297 . 2.957 2.022 1.956 2.099 . 0 0 "[ . 1 . 2]" 1
391 1 32 THR MG 1 65 ILE HG12 2.568 . 5.500 3.430 3.242 3.753 . 0 0 "[ . 1 . 2]" 1
392 1 32 THR MG 1 65 ILE MG 2.434 . 5.500 2.403 2.173 2.691 . 0 0 "[ . 1 . 2]" 1
393 1 32 THR MG 1 80 GLU QB 2.736 . 5.500 4.306 3.860 4.772 . 0 0 "[ . 1 . 2]" 1
394 1 32 THR MG 1 82 GLN HE21 3.293 . 5.500 5.238 5.069 5.299 . 0 0 "[ . 1 . 2]" 1
395 1 32 THR MG 1 82 GLN HG2 2.474 . 5.500 2.809 2.206 3.382 . 0 0 "[ . 1 . 2]" 1
396 1 32 THR MG 1 82 GLN HG3 2.402 . 3.123 3.174 2.166 3.821 0.698 3 8 "[* + ** * .*-* 2]" 1
397 1 33 VAL H 1 33 VAL HA 2.848 . 3.862 2.942 2.935 2.949 . 0 0 "[ . 1 . 2]" 1
398 1 33 VAL H 1 33 VAL QG 2.571 . 3.397 2.340 2.097 2.789 . 0 0 "[ . 1 . 2]" 1
399 1 33 VAL H 1 34 VAL H 3.394 . 4.834 4.348 4.229 4.398 . 0 0 "[ . 1 . 2]" 1
400 1 33 VAL H 1 80 GLU HA 3.657 . 5.329 4.504 4.168 4.863 . 0 0 "[ . 1 . 2]" 1
401 1 33 VAL H 1 81 MET H 2.666 . 3.555 3.237 3.039 3.431 . 0 0 "[ . 1 . 2]" 1
402 1 33 VAL H 1 82 GLN HA 3.056 . 4.223 4.055 3.615 4.279 0.056 16 0 "[ . 1 . 2]" 1
403 1 33 VAL HA 1 33 VAL QG 2.517 . 3.172 2.073 2.010 2.142 . 0 0 "[ . 1 . 2]" 1
404 1 33 VAL HA 1 34 VAL H 2.128 . 2.694 2.129 2.072 2.169 . 0 0 "[ . 1 . 2]" 1
405 1 33 VAL HA 1 34 VAL QG 2.866 . 3.893 3.173 3.118 3.301 . 0 0 "[ . 1 . 2]" 1
406 1 33 VAL HB 1 81 MET HG2 2.860 . 5.500 3.276 1.485 5.431 0.352 2 0 "[ . 1 . 2]" 1
407 1 33 VAL MG1 1 33 VAL MG2 2.051 . 2.577 2.034 2.005 2.048 . 0 0 "[ . 1 . 2]" 1
408 1 33 VAL QG 1 34 VAL H 2.479 . 3.247 2.357 2.205 2.592 . 0 0 "[ . 1 . 2]" 1
409 1 33 VAL QG 1 34 VAL QG 2.888 . 3.930 3.319 3.231 3.392 . 0 0 "[ . 1 . 2]" 1
410 1 33 VAL QG 1 35 MET H 3.768 . 5.500 4.908 4.463 5.097 . 0 0 "[ . 1 . 2]" 1
411 1 33 VAL QG 1 65 ILE HB 2.242 . 5.500 4.666 4.485 5.263 . 0 0 "[ . 1 . 2]" 1
412 1 33 VAL QG 1 65 ILE HG13 3.202 . 5.500 4.818 4.623 5.482 . 0 0 "[ . 1 . 2]" 1
413 1 33 VAL QG 1 81 MET H 3.692 . 5.500 3.697 3.452 4.022 . 0 0 "[ . 1 . 2]" 1
414 1 33 VAL QG 1 83 LEU H 3.319 . 5.500 3.799 3.597 4.456 . 0 0 "[ . 1 . 2]" 1
415 1 33 VAL QG 1 90 ILE MD 2.370 . 5.500 3.230 2.881 3.740 . 0 0 "[ . 1 . 2]" 1
416 1 33 VAL QG 1 99 TRP HE1 3.386 . 4.820 2.997 1.913 3.596 0.039 14 0 "[ . 1 . 2]" 1
417 1 33 VAL QG 1 101 GLN HA 3.397 . 4.839 3.969 3.572 4.299 . 0 0 "[ . 1 . 2]" 1
418 1 33 VAL QG 1 101 GLN HB3 3.128 . 5.500 2.653 2.112 2.935 . 0 0 "[ . 1 . 2]" 1
419 1 34 VAL H 1 34 VAL HA 2.866 . 3.893 2.962 2.951 2.973 . 0 0 "[ . 1 . 2]" 1
420 1 34 VAL H 1 34 VAL HB 3.265 . 4.598 3.736 3.646 3.786 . 0 0 "[ . 1 . 2]" 1
421 1 34 VAL H 1 34 VAL QG 2.763 . 2.867 1.796 1.592 1.928 0.217 7 0 "[ . 1 . 2]" 1
422 1 34 VAL H 1 35 MET H 3.353 . 4.758 4.471 4.401 4.517 . 0 0 "[ . 1 . 2]" 1
423 1 34 VAL HA 1 34 VAL HB 2.426 . 3.162 2.508 2.487 2.554 . 0 0 "[ . 1 . 2]" 1
424 1 34 VAL HA 1 34 VAL QG 2.440 . 3.184 2.281 2.232 2.313 . 0 0 "[ . 1 . 2]" 1
425 1 34 VAL HA 1 35 MET H 2.202 . 2.808 2.266 2.197 2.382 . 0 0 "[ . 1 . 2]" 1
426 1 34 VAL HA 1 79 ILE H 3.105 . 4.310 4.157 3.771 4.403 0.093 16 0 "[ . 1 . 2]" 1
427 1 34 VAL HA 1 79 ILE HG13 3.257 . 5.500 5.670 5.580 6.013 0.513 4 1 "[ +. 1 . 2]" 1
428 1 34 VAL HA 1 80 GLU HA 2.703 . 3.617 2.270 2.167 2.384 . 0 0 "[ . 1 . 2]" 1
429 1 34 VAL HA 1 80 GLU HB3 2.820 . 3.814 3.349 2.816 4.229 0.415 15 0 "[ . 1 . 2]" 1
430 1 34 VAL HA 1 81 MET H 2.954 . 4.045 3.250 3.045 3.445 . 0 0 "[ . 1 . 2]" 1
431 1 34 VAL HB 1 34 VAL QG 2.215 . 2.604 1.884 1.878 1.890 . 0 0 "[ . 1 . 2]" 1
432 1 34 VAL HB 1 35 MET H 2.481 . 3.250 2.660 2.429 2.882 . 0 0 "[ . 1 . 2]" 1
433 1 34 VAL HB 1 35 MET HA 2.183 . 5.500 4.147 3.957 4.329 . 0 0 "[ . 1 . 2]" 1
434 1 34 VAL HB 1 35 MET HB3 2.793 . 5.500 5.306 5.056 5.499 . 0 0 "[ . 1 . 2]" 1
435 1 34 VAL MG1 1 34 VAL MG2 2.110 . 2.525 2.008 1.974 2.075 . 0 0 "[ . 1 . 2]" 1
436 1 34 VAL QG 1 35 MET H 2.808 . 3.894 3.275 3.161 3.391 . 0 0 "[ . 1 . 2]" 1
437 1 34 VAL QG 1 80 GLU HA 2.763 . 3.717 2.847 2.509 3.029 . 0 0 "[ . 1 . 2]" 1
438 1 34 VAL QG 1 80 GLU HB3 2.257 . 5.500 3.516 3.240 3.778 . 0 0 "[ . 1 . 2]" 1
439 1 34 VAL QG 1 80 GLU HG3 2.793 . 3.427 2.702 1.729 3.204 0.089 4 0 "[ . 1 . 2]" 1
440 1 34 VAL QG 1 81 MET H 3.124 . 4.344 3.925 3.802 4.054 . 0 0 "[ . 1 . 2]" 1
441 1 35 MET H 1 35 MET HA 2.811 . 3.799 2.908 2.868 2.931 . 0 0 "[ . 1 . 2]" 1
442 1 35 MET H 1 35 MET HB2 3.286 . 4.635 3.903 3.806 3.987 . 0 0 "[ . 1 . 2]" 1
443 1 35 MET H 1 35 MET HB3 3.229 . 4.532 3.031 2.729 3.350 . 0 0 "[ . 1 . 2]" 1
444 1 35 MET H 1 35 MET QG 2.671 . 3.563 2.948 2.426 3.446 . 0 0 "[ . 1 . 2]" 1
445 1 35 MET H 1 36 GLU H 3.640 . 5.296 4.341 4.267 4.380 . 0 0 "[ . 1 . 2]" 1
446 1 35 MET H 1 78 PHE HA 3.153 . 5.500 4.293 3.878 4.648 . 0 0 "[ . 1 . 2]" 1
447 1 35 MET H 1 79 ILE HB 3.367 . 4.784 3.284 2.935 3.578 . 0 0 "[ . 1 . 2]" 1
448 1 35 MET H 1 79 ILE HG13 2.825 . 3.823 3.787 3.661 4.203 0.380 4 0 "[ . 1 . 2]" 1
449 1 35 MET H 1 80 GLU HA 2.972 . 4.076 3.796 3.585 4.081 0.005 11 0 "[ . 1 . 2]" 1
450 1 35 MET HA 1 35 MET HB2 2.477 . 3.244 2.313 2.222 2.428 . 0 0 "[ . 1 . 2]" 1
451 1 35 MET HA 1 35 MET HB3 2.560 . 3.379 2.662 2.485 2.880 . 0 0 "[ . 1 . 2]" 1
452 1 35 MET HA 1 36 GLU H 2.274 . 2.920 2.349 2.255 2.402 . 0 0 "[ . 1 . 2]" 1
453 1 35 MET HA 1 90 ILE MD 2.798 . 5.500 4.040 3.733 4.384 . 0 0 "[ . 1 . 2]" 1
454 1 35 MET HB2 1 35 MET QG 2.402 . 3.123 2.351 2.138 2.499 . 0 0 "[ . 1 . 2]" 1
455 1 35 MET HB2 1 36 GLU H 2.743 . 3.683 2.954 2.596 3.325 . 0 0 "[ . 1 . 2]" 1
456 1 35 MET HB2 1 36 GLU HB2 2.975 . 5.500 5.471 5.188 5.680 0.180 19 0 "[ . 1 . 2]" 1
457 1 35 MET HB2 1 79 ILE HG13 2.853 . 5.500 4.906 4.228 5.339 . 0 0 "[ . 1 . 2]" 1
458 1 35 MET HB2 1 95 LEU QB 2.098 . 5.500 5.101 4.966 5.324 . 0 0 "[ . 1 . 2]" 1
459 1 35 MET HB2 1 90 ILE MD . . 2.856 2.762 2.245 3.155 0.299 12 0 "[ . 1 . 2]" 1
460 1 35 MET HB3 1 35 MET QG 2.653 . 3.533 2.289 2.146 2.530 . 0 0 "[ . 1 . 2]" 1
461 1 35 MET HB3 1 36 GLU H 2.830 . 5.500 4.130 3.912 4.288 . 0 0 "[ . 1 . 2]" 1
462 1 35 MET HB3 1 37 VAL QG 2.873 . 5.500 4.220 4.001 4.408 . 0 0 "[ . 1 . 2]" 1
463 1 35 MET QG 1 36 GLU H 3.268 . 4.603 3.319 2.817 3.676 . 0 0 "[ . 1 . 2]" 1
464 1 35 MET QG 1 36 GLU HB3 1.673 . 5.500 4.849 4.171 5.289 . 0 0 "[ . 1 . 2]" 1
465 1 35 MET QG 1 37 VAL QG 2.584 . 3.419 2.711 2.277 3.068 . 0 0 "[ . 1 . 2]" 1
466 1 35 MET QG 1 69 PRO HB3 2.792 . 5.500 4.812 4.560 5.110 . 0 0 "[ . 1 . 2]" 1
467 1 35 MET QG 1 79 ILE H 3.207 . 4.493 3.431 3.083 3.738 . 0 0 "[ . 1 . 2]" 1
468 1 35 MET QG 1 79 ILE HB 2.694 . 3.601 2.492 1.990 2.870 . 0 0 "[ . 1 . 2]" 1
469 1 35 MET QG 1 79 ILE HB 2.727 . 3.468 2.437 1.984 2.790 . 0 0 "[ . 1 . 2]" 1
470 1 35 MET QG 1 79 ILE MD 2.711 . 3.630 2.307 1.707 3.074 0.085 19 0 "[ . 1 . 2]" 1
471 1 35 MET QG 1 79 ILE HG13 2.768 . 3.550 2.218 1.649 2.730 0.161 4 0 "[ . 1 . 2]" 1
472 1 35 MET QG 1 90 ILE HB 3.109 . 4.317 2.750 2.498 3.425 . 0 0 "[ . 1 . 2]" 1
473 1 36 GLU H 1 36 GLU HA 2.874 . 3.906 2.938 2.930 2.956 . 0 0 "[ . 1 . 2]" 1
474 1 36 GLU H 1 36 GLU HB2 2.915 . 3.977 2.725 2.421 2.984 . 0 0 "[ . 1 . 2]" 1
475 1 36 GLU H 1 36 GLU HB3 2.905 . 3.960 3.008 2.595 3.542 . 0 0 "[ . 1 . 2]" 1
476 1 36 GLU H 1 36 GLU QG 3.089 . 5.500 3.992 3.533 4.149 . 0 0 "[ . 1 . 2]" 1
477 1 36 GLU H 1 37 VAL H 3.353 . 4.758 4.292 4.223 4.417 . 0 0 "[ . 1 . 2]" 1
478 1 36 GLU HA 1 36 GLU HB3 2.359 . 3.055 2.933 2.694 3.009 . 0 0 "[ . 1 . 2]" 1
479 1 36 GLU HA 1 36 GLU QG 2.633 . 3.130 2.259 2.185 2.388 . 0 0 "[ . 1 . 2]" 1
480 1 36 GLU HA 1 37 VAL H 2.179 . 2.772 2.170 2.113 2.219 . 0 0 "[ . 1 . 2]" 1
481 1 36 GLU HA 1 37 VAL QG 2.865 . 5.500 3.165 3.042 3.268 . 0 0 "[ . 1 . 2]" 1
482 1 36 GLU HA 1 78 PHE HA 2.588 . 3.425 2.865 2.532 3.400 . 0 0 "[ . 1 . 2]" 1
483 1 36 GLU HA 1 79 ILE H 2.891 . 3.936 3.618 3.380 3.956 0.020 11 0 "[ . 1 . 2]" 1
484 1 36 GLU QB 1 36 GLU QG 1.941 . 2.412 2.071 2.023 2.087 . 0 0 "[ . 1 . 2]" 1
485 1 36 GLU HB2 1 36 GLU QG 2.132 . 5.500 2.391 2.328 2.497 . 0 0 "[ . 1 . 2]" 1
486 1 36 GLU HB2 1 37 VAL H 3.325 . 4.707 4.408 4.344 4.528 . 0 0 "[ . 1 . 2]" 1
487 1 36 GLU HB2 1 79 ILE H 3.665 . 5.500 5.110 4.606 5.630 0.130 10 0 "[ . 1 . 2]" 1
488 1 36 GLU HB3 1 36 GLU QG 2.162 . 2.747 2.273 2.139 2.344 . 0 0 "[ . 1 . 2]" 1
489 1 36 GLU HB3 1 37 VAL H 3.008 . 4.139 3.848 3.357 4.209 0.070 15 0 "[ . 1 . 2]" 1
490 1 36 GLU QG 1 37 VAL H 2.715 . 3.637 3.051 2.800 3.566 . 0 0 "[ . 1 . 2]" 1
491 1 36 GLU QG 1 78 PHE H 3.231 . 5.500 4.177 3.633 4.912 . 0 0 "[ . 1 . 2]" 1
492 1 36 GLU QG 1 78 PHE HA 2.829 . 3.829 2.837 2.190 3.761 . 0 0 "[ . 1 . 2]" 1
493 1 36 GLU QG 1 79 ILE H 3.302 . 4.665 3.970 3.276 4.644 . 0 0 "[ . 1 . 2]" 1
494 1 37 VAL H 1 37 VAL QG 2.315 . 3.687 2.070 1.965 2.137 . 0 0 "[ . 1 . 2]" 1
495 1 37 VAL H 1 38 GLY H 1.792 . 5.500 4.492 4.451 4.572 . 0 0 "[ . 1 . 2]" 1
496 1 37 VAL H 1 77 GLY H 3.641 . 5.298 3.754 2.873 5.095 . 0 0 "[ . 1 . 2]" 1
497 1 37 VAL H 1 77 GLY HA2 3.215 . 5.500 4.446 3.748 5.513 0.013 14 0 "[ . 1 . 2]" 1
498 1 37 VAL H 1 77 GLY HA3 3.257 . 5.500 5.303 4.649 5.733 0.233 9 0 "[ . 1 . 2]" 1
499 1 37 VAL H 1 78 PHE HA 3.208 . 4.494 4.270 3.881 4.600 0.106 19 0 "[ . 1 . 2]" 1
500 1 37 VAL H 1 79 ILE H 3.532 . 5.091 5.097 4.819 5.469 0.378 19 0 "[ . 1 . 2]" 1
501 1 37 VAL HA 1 37 VAL HB 2.480 . 3.249 2.607 2.509 2.763 . 0 0 "[ . 1 . 2]" 1
502 1 37 VAL HA 1 37 VAL QG 2.315 . 2.985 2.162 2.077 2.221 . 0 0 "[ . 1 . 2]" 1
503 1 37 VAL HA 1 38 GLY H 2.321 . 2.995 2.307 2.251 2.425 . 0 0 "[ . 1 . 2]" 1
504 1 37 VAL HB 1 38 GLY H 2.604 . 3.452 2.802 2.564 2.937 . 0 0 "[ . 1 . 2]" 1
505 1 37 VAL MG1 1 37 VAL MG2 2.096 . 5.500 2.069 2.030 2.083 . 0 0 "[ . 1 . 2]" 1
506 1 37 VAL QG 1 38 GLY H 3.243 . 3.925 3.213 2.896 3.404 . 0 0 "[ . 1 . 2]" 1
507 1 37 VAL QG 1 49 VAL MG2 1.813 . 5.500 3.089 2.861 3.486 . 0 0 "[ . 1 . 2]" 1
508 1 37 VAL QG 1 75 GLY HA3 2.526 . 5.500 4.696 4.184 5.096 . 0 0 "[ . 1 . 2]" 1
509 1 37 VAL QG 1 76 GLY HA2 3.080 . 4.266 3.530 3.207 4.083 . 0 0 "[ . 1 . 2]" 1
510 1 37 VAL QG 1 76 GLY HA3 2.635 . 3.503 2.001 1.675 2.650 0.092 19 0 "[ . 1 . 2]" 1
511 1 37 VAL QG 1 77 GLY H 3.298 . 4.658 3.615 2.883 4.379 . 0 0 "[ . 1 . 2]" 1
512 1 37 VAL QG 1 92 VAL MG2 2.249 . 5.500 2.129 1.730 2.605 . 0 0 "[ . 1 . 2]" 1
513 1 37 VAL QG 1 92 VAL MG1 2.459 . 5.500 1.941 1.570 2.308 0.133 13 0 "[ . 1 . 2]" 1
514 1 37 VAL QG 1 92 VAL MG2 2.338 . 5.500 2.131 1.730 2.615 . 0 0 "[ . 1 . 2]" 1
515 1 37 VAL QG 1 95 LEU MD1 2.662 . 3.547 3.747 3.236 4.153 0.606 8 4 "[ . +*1 * - 2]" 1
516 1 37 VAL QG 1 95 LEU MD2 3.015 . 4.151 2.002 1.727 2.269 0.152 7 0 "[ . 1 . 2]" 1
517 1 38 GLY H 1 38 GLY HA2 2.746 . 3.688 2.962 2.953 2.971 . 0 0 "[ . 1 . 2]" 1
518 1 38 GLY H 1 38 GLY HA3 2.569 . 3.394 2.487 2.416 2.530 . 0 0 "[ . 1 . 2]" 1
519 1 38 GLY H 1 39 PHE H 3.170 . 5.500 4.439 4.394 4.495 . 0 0 "[ . 1 . 2]" 1
520 1 38 GLY H 1 95 LEU MD2 3.597 . 5.500 4.033 3.703 4.206 . 0 0 "[ . 1 . 2]" 1
521 1 38 GLY HA2 1 39 PHE H 2.372 . 3.075 2.258 2.141 2.648 . 0 0 "[ . 1 . 2]" 1
522 1 38 GLY HA3 1 39 PHE H 2.447 . 3.195 3.056 2.591 3.201 0.006 15 0 "[ . 1 . 2]" 1
523 1 39 PHE H 1 39 PHE HA 2.904 . 3.958 2.913 2.870 2.948 . 0 0 "[ . 1 . 2]" 1
524 1 39 PHE H 1 39 PHE QB 2.913 . 3.974 2.564 2.287 3.063 . 0 0 "[ . 1 . 2]" 1
525 1 39 PHE H 1 40 SER H 3.492 . 5.017 4.484 4.218 4.581 . 0 0 "[ . 1 . 2]" 1
526 1 39 PHE H 1 40 SER H 3.378 . 4.805 3.907 3.381 4.217 . 0 0 "[ . 1 . 2]" 1
527 1 39 PHE H 1 71 MET QB 2.951 . 4.039 4.270 3.744 4.772 0.733 14 3 "[ . - +. * 2]" 1
528 1 39 PHE HA 1 39 PHE QB 2.768 . 3.726 2.225 2.146 2.504 . 0 0 "[ . 1 . 2]" 1
529 1 39 PHE HA 1 40 SER H 2.282 . 2.933 2.280 2.120 2.548 . 0 0 "[ . 1 . 2]" 1
530 1 39 PHE HA 1 41 GLY H 3.408 . 4.860 4.227 3.826 4.931 0.071 18 0 "[ . 1 . 2]" 1
531 1 39 PHE HA 1 75 GLY HA3 3.156 . 5.500 5.049 4.513 5.618 0.118 9 0 "[ . 1 . 2]" 1
532 1 39 PHE QB 1 40 SER H 3.472 . 4.979 2.783 2.275 3.697 . 0 0 "[ . 1 . 2]" 1
533 1 39 PHE QB 1 71 MET QB 2.660 . 3.545 2.669 1.989 3.544 . 0 0 "[ . 1 . 2]" 1
534 1 40 SER H 1 40 SER HA 2.865 . 3.891 2.885 2.764 2.949 . 0 0 "[ . 1 . 2]" 1
535 1 40 SER H 1 41 GLY H 2.762 . 3.716 2.619 1.923 3.189 . 0 0 "[ . 1 . 2]" 1
536 1 40 SER H 1 41 GLY HA2 3.512 . 5.054 5.081 4.659 5.258 0.204 17 0 "[ . 1 . 2]" 1
537 1 40 SER H 1 75 GLY HA2 2.501 . 5.500 5.666 5.195 5.868 0.368 4 0 "[ . 1 . 2]" 1
538 1 40 SER HA 1 41 GLY H 3.078 . 4.262 3.324 2.701 3.636 . 0 0 "[ . 1 . 2]" 1
539 1 41 GLY H 1 41 GLY HA2 2.498 . 3.278 2.857 2.734 2.961 . 0 0 "[ . 1 . 2]" 1
540 1 41 GLY H 1 41 GLY HA3 2.613 . 3.466 2.744 2.507 2.884 . 0 0 "[ . 1 . 2]" 1
541 1 41 GLY H 1 42 THR H 3.091 . 4.286 2.328 1.740 3.197 0.156 7 0 "[ . 1 . 2]" 1
542 1 41 GLY HA2 1 42 THR H 2.527 . 5.500 3.461 3.337 3.540 . 0 0 "[ . 1 . 2]" 1
543 1 41 GLY HA3 1 42 THR H 2.452 . 3.204 2.637 2.143 3.066 . 0 0 "[ . 1 . 2]" 1
544 1 42 THR H 1 42 THR HA 2.426 . 3.162 2.451 2.370 2.654 . 0 0 "[ . 1 . 2]" 1
545 1 42 THR H 1 42 THR MG 2.868 . 5.500 3.787 3.634 3.846 . 0 0 "[ . 1 . 2]" 1
546 1 42 THR H 1 43 ARG H 3.307 . 4.674 4.610 4.453 4.671 . 0 0 "[ . 1 . 2]" 1
547 1 42 THR HA 1 42 THR MG 2.200 . 5.500 2.359 2.124 2.507 . 0 0 "[ . 1 . 2]" 1
548 1 42 THR HA 1 43 ARG H 2.067 . 2.601 2.209 2.142 2.278 . 0 0 "[ . 1 . 2]" 1
549 1 42 THR HB 1 42 THR MG 2.029 . 2.544 2.137 2.128 2.147 . 0 0 "[ . 1 . 2]" 1
550 1 42 THR MG 1 43 ARG H 2.383 . 3.093 2.612 2.420 2.987 . 0 0 "[ . 1 . 2]" 1
551 1 42 THR MG 1 45 CYS HA 2.677 . 3.573 3.733 3.333 4.018 0.445 17 0 "[ . 1 . 2]" 1
552 1 42 THR MG 1 45 CYS QB 2.913 . 3.974 1.947 1.788 2.302 0.111 16 0 "[ . 1 . 2]" 1
553 1 43 ARG H 1 43 ARG HA 2.601 . 3.447 2.902 2.863 2.932 . 0 0 "[ . 1 . 2]" 1
554 1 43 ARG H 1 43 ARG HB2 2.674 . 3.568 3.635 3.591 3.705 0.137 7 0 "[ . 1 . 2]" 1
555 1 43 ARG H 1 43 ARG HG3 2.665 . 3.553 3.120 2.432 3.579 0.026 20 0 "[ . 1 . 2]" 1
556 1 43 ARG HA 1 43 ARG HB2 2.661 . 3.546 2.384 2.322 2.491 . 0 0 "[ . 1 . 2]" 1
557 1 43 ARG HA 1 44 PRO HG2 2.819 . 5.500 5.139 4.947 5.317 . 0 0 "[ . 1 . 2]" 1
558 1 43 ARG HA 1 45 CYS H 2.907 . 5.500 5.226 4.736 5.520 0.020 17 0 "[ . 1 . 2]" 1
559 1 43 ARG HB2 1 43 ARG HG3 2.364 . 3.063 2.580 2.465 2.919 . 0 0 "[ . 1 . 2]" 1
560 1 43 ARG HB2 1 44 PRO HG2 2.770 . 5.500 3.841 3.539 4.237 . 0 0 "[ . 1 . 2]" 1
561 1 43 ARG HG3 1 44 PRO HA 2.474 . 5.500 4.688 4.308 5.197 . 0 0 "[ . 1 . 2]" 1
562 1 43 ARG HG3 1 45 CYS H 3.064 . 5.500 5.335 4.980 5.540 0.040 4 0 "[ . 1 . 2]" 1
563 1 44 PRO HA 1 45 CYS H 2.376 . 3.081 2.112 2.079 2.157 . 0 0 "[ . 1 . 2]" 1
564 1 44 PRO HA 1 71 MET H 3.398 . 4.842 3.247 2.799 3.433 . 0 0 "[ . 1 . 2]" 1
565 1 44 PRO QB 1 44 PRO HD2 2.784 . 3.753 3.045 2.936 3.254 . 0 0 "[ . 1 . 2]" 1
566 1 44 PRO QB 1 44 PRO HD2 2.712 . 3.631 2.648 2.596 2.713 . 0 0 "[ . 1 . 2]" 1
567 1 44 PRO QB 1 45 CYS H 2.885 . 3.926 3.638 3.564 3.691 . 0 0 "[ . 1 . 2]" 1
568 1 44 PRO QB 1 70 THR MG 3.137 . 4.367 3.468 2.629 3.935 . 0 0 "[ . 1 . 2]" 1
569 1 44 PRO QB 1 71 MET QB 2.870 . 5.500 4.913 4.388 5.687 0.187 1 0 "[ . 1 . 2]" 1
570 1 44 PRO QB 1 72 GLU HG3 1.708 . 5.500 4.756 3.822 5.409 . 0 0 "[ . 1 . 2]" 1
571 1 44 PRO HD2 1 44 PRO HG2 2.336 . 3.018 2.287 2.262 2.305 . 0 0 "[ . 1 . 2]" 1
572 1 44 PRO HD2 1 44 PRO HG3 2.344 . 3.031 2.944 2.880 2.968 . 0 0 "[ . 1 . 2]" 1
573 1 44 PRO HG3 1 71 MET H 3.176 . 5.500 5.587 5.296 5.690 0.190 14 0 "[ . 1 . 2]" 1
574 1 44 PRO HG3 1 72 GLU HB2 2.296 . 5.500 4.830 4.078 5.566 0.066 16 0 "[ . 1 . 2]" 1
575 1 44 PRO HG3 1 72 GLU HG2 2.967 . 4.067 2.450 1.800 3.535 0.067 17 0 "[ . 1 . 2]" 1
576 1 45 CYS H 1 45 CYS HA 2.667 . 3.556 2.944 2.927 2.959 . 0 0 "[ . 1 . 2]" 1
577 1 45 CYS H 1 45 CYS QB 3.388 . 4.823 2.849 2.637 3.164 . 0 0 "[ . 1 . 2]" 1
578 1 45 CYS H 1 46 ARG H 3.405 . 4.854 4.352 4.300 4.401 . 0 0 "[ . 1 . 2]" 1
579 1 45 CYS H 1 47 ILE H 3.060 . 5.500 5.452 5.213 5.640 0.140 14 0 "[ . 1 . 2]" 1
580 1 45 CYS H 1 70 THR HB 3.287 . 4.638 3.696 2.948 4.744 0.106 14 0 "[ . 1 . 2]" 1
581 1 45 CYS H 1 70 THR MG 2.966 . 4.065 3.422 2.311 3.828 . 0 0 "[ . 1 . 2]" 1
582 1 45 CYS H 1 71 MET H 1.675 . 2.026 2.170 1.942 2.341 0.315 16 0 "[ . 1 . 2]" 1
583 1 45 CYS HA 1 45 CYS QB 2.373 . 3.077 2.183 2.168 2.199 . 0 0 "[ . 1 . 2]" 1
584 1 45 CYS HA 1 46 ARG H 2.325 . 3.001 2.593 2.260 2.746 . 0 0 "[ . 1 . 2]" 1
585 1 45 CYS HA 1 46 ARG QD 2.760 . 3.712 3.141 2.685 3.712 . 0 0 "[ . 1 . 2]" 1
586 1 45 CYS QB 1 46 ARG H 2.940 . 3.756 2.224 1.970 3.034 . 0 0 "[ . 1 . 2]" 1
587 1 46 ARG H 1 46 ARG HB2 2.733 . 3.667 2.480 2.213 2.696 . 0 0 "[ . 1 . 2]" 1
588 1 46 ARG H 1 46 ARG HB3 2.678 . 5.500 3.636 3.499 3.761 . 0 0 "[ . 1 . 2]" 1
589 1 46 ARG H 1 46 ARG QD 2.927 . 3.998 2.757 2.066 3.435 . 0 0 "[ . 1 . 2]" 1
590 1 46 ARG H 1 46 ARG HG2 3.070 . 4.248 4.025 1.978 4.584 0.336 2 0 "[ . 1 . 2]" 1
591 1 46 ARG H 1 47 ILE H 3.310 . 4.679 4.127 3.965 4.465 . 0 0 "[ . 1 . 2]" 1
592 1 46 ARG HA 1 71 MET H 3.091 . 5.500 4.789 4.086 5.093 . 0 0 "[ . 1 . 2]" 1
593 1 46 ARG HB2 1 46 ARG QD 2.741 . 3.680 2.637 2.358 3.458 . 0 0 "[ . 1 . 2]" 1
594 1 46 ARG HB2 1 46 ARG HG2 2.432 . 2.919 2.429 2.341 2.497 . 0 0 "[ . 1 . 2]" 1
595 1 46 ARG HB3 1 46 ARG QD 2.786 . 3.756 3.233 2.533 3.463 . 0 0 "[ . 1 . 2]" 1
596 1 46 ARG HB3 1 46 ARG HG2 2.216 . 2.830 2.527 2.367 3.002 0.172 19 0 "[ . 1 . 2]" 1
597 1 46 ARG HB3 1 48 PRO HB3 2.343 . 5.500 5.953 5.634 6.351 0.851 8 6 "[ . + 1 * ** -*2]" 1
598 1 46 ARG QD 1 46 ARG HG2 2.316 . 2.986 2.346 2.165 2.410 . 0 0 "[ . 1 . 2]" 1
599 1 46 ARG QD 1 70 THR MG 2.772 . 3.732 3.311 2.745 3.576 . 0 0 "[ . 1 . 2]" 1
600 1 47 ILE H 1 48 PRO HD2 3.768 . 5.543 4.929 4.837 5.067 . 0 0 "[ . 1 . 2]" 1
601 1 47 ILE H 1 70 THR HA 2.589 . 3.427 3.152 2.657 3.522 0.095 15 0 "[ . 1 . 2]" 1
602 1 47 ILE H 1 70 THR MG 3.088 . 4.280 3.909 3.652 4.151 . 0 0 "[ . 1 . 2]" 1
603 1 47 ILE H 1 71 MET H 3.111 . 5.500 4.536 4.080 5.154 . 0 0 "[ . 1 . 2]" 1
604 1 48 PRO HA 1 49 VAL H 2.029 . 2.544 2.369 2.266 2.432 . 0 0 "[ . 1 . 2]" 1
605 1 48 PRO HB2 1 49 VAL H 2.973 . 5.500 4.230 4.095 4.278 . 0 0 "[ . 1 . 2]" 1
606 1 48 PRO HB2 1 93 GLY H 3.051 . 4.215 3.284 2.630 3.745 . 0 0 "[ . 1 . 2]" 1
607 1 48 PRO HB2 1 93 GLY QA 2.841 . 5.500 3.122 2.817 3.547 . 0 0 "[ . 1 . 2]" 1
608 1 48 PRO HB3 1 48 PRO QG 1.758 . 2.144 2.241 2.222 2.255 0.111 12 0 "[ . 1 . 2]" 1
609 1 48 PRO HB3 1 49 VAL MG2 2.189 . 5.500 4.962 4.566 5.177 . 0 0 "[ . 1 . 2]" 1
610 1 48 PRO HB3 1 93 GLY H 2.742 . 5.500 3.063 2.685 3.414 . 0 0 "[ . 1 . 2]" 1
611 1 48 PRO HB3 1 49 VAL H 3.077 . 5.500 4.524 4.423 4.569 . 0 0 "[ . 1 . 2]" 1
612 1 48 PRO HD2 1 48 PRO QG 2.540 . 3.347 2.178 2.174 2.184 . 0 0 "[ . 1 . 2]" 1
613 1 48 PRO HD3 1 48 PRO QG 2.509 . 3.296 2.212 2.188 2.233 . 0 0 "[ . 1 . 2]" 1
614 1 48 PRO QG 1 49 VAL H 3.643 . 5.302 4.661 4.596 4.724 . 0 0 "[ . 1 . 2]" 1
615 1 48 PRO QG 1 93 GLY H 2.753 . 3.701 3.095 2.712 3.453 . 0 0 "[ . 1 . 2]" 1
616 1 48 PRO QG 1 93 GLY QA 2.856 . 3.660 2.583 2.311 2.895 . 0 0 "[ . 1 . 2]" 1
617 1 48 PRO QG 1 94 ASP H 2.930 . 5.500 4.748 4.536 5.118 . 0 0 "[ . 1 . 2]" 1
618 1 49 VAL H 1 49 VAL HA 2.683 . 3.583 2.934 2.905 2.945 . 0 0 "[ . 1 . 2]" 1
619 1 49 VAL H 1 49 VAL HB 2.622 . 3.482 3.637 3.426 3.731 0.249 14 0 "[ . 1 . 2]" 1
620 1 49 VAL H 1 49 VAL MG2 2.187 . 2.785 1.874 1.628 1.995 . 0 0 "[ . 1 . 2]" 1
621 1 49 VAL H 1 50 ARG H 3.185 . 4.453 4.337 4.209 4.488 0.035 2 0 "[ . 1 . 2]" 1
622 1 49 VAL H 1 64 LEU MD1 3.381 . 5.500 4.234 3.990 4.450 . 0 0 "[ . 1 . 2]" 1
623 1 49 VAL H 1 93 GLY H 3.261 . 5.500 5.050 4.847 5.465 . 0 0 "[ . 1 . 2]" 1
624 1 49 VAL HA 1 49 VAL HB 2.818 . 3.811 2.552 2.428 2.755 . 0 0 "[ . 1 . 2]" 1
625 1 49 VAL HA 1 49 VAL MG1 2.668 . 3.558 2.216 2.071 2.332 . 0 0 "[ . 1 . 2]" 1
626 1 49 VAL HA 1 49 VAL MG1 2.332 . 3.012 2.194 2.052 2.302 . 0 0 "[ . 1 . 2]" 1
627 1 49 VAL HA 1 49 VAL MG2 3.057 . 4.225 3.174 3.021 3.206 . 0 0 "[ . 1 . 2]" 1
628 1 49 VAL HA 1 50 ARG H 2.109 . 2.665 2.095 1.989 2.286 . 0 0 "[ . 1 . 2]" 1
629 1 49 VAL HA 1 90 ILE HB 2.008 . 5.500 6.339 6.124 6.522 1.022 3 20 [**+-****************] 1
630 1 49 VAL HA 1 92 VAL HA 2.508 . 3.294 2.269 2.106 2.445 . 0 0 "[ . 1 . 2]" 1
631 1 49 VAL HA 1 92 VAL MG1 2.771 . 3.731 3.213 2.887 3.483 . 0 0 "[ . 1 . 2]" 1
632 1 49 VAL HA 1 93 GLY H 2.986 . 4.101 3.332 2.899 3.830 . 0 0 "[ . 1 . 2]" 1
633 1 49 VAL HB 1 49 VAL MG1 2.092 . 2.639 2.121 2.101 2.133 . 0 0 "[ . 1 . 2]" 1
634 1 49 VAL HB 1 49 VAL MG2 2.186 . 2.783 2.127 2.095 2.134 . 0 0 "[ . 1 . 2]" 1
635 1 49 VAL HB 1 50 ARG H 2.806 . 3.791 2.811 2.353 2.968 . 0 0 "[ . 1 . 2]" 1
636 1 49 VAL HB 1 64 LEU MD2 2.209 . 2.819 2.109 2.100 2.119 . 0 0 "[ . 1 . 2]" 1
637 1 49 VAL HB 1 79 ILE MD 2.923 . 3.991 3.650 3.121 3.995 0.004 4 0 "[ . 1 . 2]" 1
638 1 49 VAL HB 1 81 MET HB3 2.447 . 5.500 5.194 4.843 5.644 0.144 14 0 "[ . 1 . 2]" 1
639 1 49 VAL MG1 1 69 PRO HD3 2.963 . 5.500 5.121 4.193 6.226 0.726 18 2 "[ -. 1 . + 2]" 1
640 1 49 VAL MG1 1 69 PRO HG2 3.017 . 4.155 3.417 2.900 4.690 0.535 18 1 "[ . 1 . + 2]" 1
641 1 49 VAL MG1 1 69 PRO HG3 2.951 . 4.040 3.324 2.494 4.337 0.297 18 0 "[ . 1 . 2]" 1
642 1 49 VAL MG1 1 79 ILE MD 2.063 . 2.595 1.782 1.555 2.356 . 0 0 "[ . 1 . 2]" 1
643 1 49 VAL MG1 1 92 VAL MG1 2.322 . 2.688 1.785 1.395 2.270 0.253 18 0 "[ . 1 . 2]" 1
644 1 49 VAL MG1 1 92 VAL MG2 3.047 . 4.208 2.066 1.519 2.522 0.367 18 0 "[ . 1 . 2]" 1
645 1 49 VAL MG2 1 79 ILE MD 2.195 . 5.500 3.025 2.238 3.595 . 0 0 "[ . 1 . 2]" 1
646 1 50 ARG H 1 50 ARG HA 2.768 . 3.726 2.906 2.822 2.938 . 0 0 "[ . 1 . 2]" 1
647 1 50 ARG H 1 50 ARG HB2 3.325 . 4.707 3.864 3.775 4.014 . 0 0 "[ . 1 . 2]" 1
648 1 50 ARG H 1 50 ARG HD2 3.646 . 5.308 5.087 4.907 5.388 0.080 8 0 "[ . 1 . 2]" 1
649 1 50 ARG H 1 50 ARG QG 2.825 . 3.823 2.325 2.060 2.732 . 0 0 "[ . 1 . 2]" 1
650 1 50 ARG H 1 51 ALA H 3.438 . 4.916 4.328 4.267 4.377 . 0 0 "[ . 1 . 2]" 1
651 1 50 ARG H 1 90 ILE MG 2.446 . 3.194 3.018 2.618 3.192 . 0 0 "[ . 1 . 2]" 1
652 1 50 ARG H 1 91 TYR HB2 3.193 . 4.468 4.089 3.546 4.583 0.115 5 0 "[ . 1 . 2]" 1
653 1 50 ARG H 1 91 TYR HB3 3.519 . 5.067 4.080 3.743 4.614 . 0 0 "[ . 1 . 2]" 1
654 1 50 ARG H 1 92 VAL HA 3.128 . 4.351 3.331 2.984 3.732 . 0 0 "[ . 1 . 2]" 1
655 1 50 ARG H 1 92 VAL MG1 3.749 . 5.506 4.721 4.513 4.963 . 0 0 "[ . 1 . 2]" 1
656 1 50 ARG H 1 93 GLY H 3.468 . 4.972 4.017 3.607 4.673 . 0 0 "[ . 1 . 2]" 1
657 1 50 ARG HA 1 50 ARG HB2 2.408 . 3.133 2.418 2.381 2.454 . 0 0 "[ . 1 . 2]" 1
658 1 50 ARG HA 1 50 ARG HB3 2.344 . 3.031 2.491 2.461 2.527 . 0 0 "[ . 1 . 2]" 1
659 1 50 ARG HA 1 51 ALA H 2.228 . 2.849 2.522 2.447 2.618 . 0 0 "[ . 1 . 2]" 1
660 1 50 ARG HA 1 60 ASN HD22 3.368 . 4.786 3.558 3.268 4.519 . 0 0 "[ . 1 . 2]" 1
661 1 50 ARG HA 1 62 ALA H 3.251 . 5.500 4.410 4.241 4.641 . 0 0 "[ . 1 . 2]" 1
662 1 50 ARG HB2 1 50 ARG HD2 2.438 . 3.181 2.623 2.432 2.848 . 0 0 "[ . 1 . 2]" 1
663 1 50 ARG HB2 1 51 ALA H 2.627 . 3.490 2.276 2.201 2.404 . 0 0 "[ . 1 . 2]" 1
664 1 50 ARG HB2 1 62 ALA MB 2.756 . 3.705 3.394 3.288 3.501 . 0 0 "[ . 1 . 2]" 1
665 1 50 ARG HB3 1 50 ARG HD2 2.432 . 3.171 3.101 2.888 3.223 0.052 13 0 "[ . 1 . 2]" 1
666 1 50 ARG HB3 1 51 ALA H 2.416 . 5.500 3.729 3.667 3.829 . 0 0 "[ . 1 . 2]" 1
667 1 50 ARG HD2 1 50 ARG QG 2.341 . 3.026 2.313 2.235 2.388 . 0 0 "[ . 1 . 2]" 1
668 1 50 ARG HD2 1 51 ALA H 3.214 . 4.506 4.384 4.158 4.625 0.119 7 0 "[ . 1 . 2]" 1
669 1 50 ARG HD2 1 52 VAL MG1 3.038 . 5.500 3.660 3.096 4.043 . 0 0 "[ . 1 . 2]" 1
670 1 50 ARG HE 1 91 TYR H 3.334 . 4.724 4.740 4.458 4.827 0.103 11 0 "[ . 1 . 2]" 1
671 1 50 ARG QG 1 51 ALA H 3.220 . 4.516 3.152 2.907 3.340 . 0 0 "[ . 1 . 2]" 1
672 1 50 ARG QG 1 51 ALA H 2.386 . 5.500 2.529 2.466 2.568 . 0 0 "[ . 1 . 2]" 1
673 1 50 ARG QG 1 51 ALA HA 2.053 . 5.500 3.298 3.246 3.355 . 0 0 "[ . 1 . 2]" 1
674 1 50 ARG QG 1 51 ALA MB 2.325 . 5.500 4.275 4.202 4.347 . 0 0 "[ . 1 . 2]" 1
675 1 50 ARG QG 1 52 VAL MG1 2.658 . 3.958 3.302 3.175 3.486 . 0 0 "[ . 1 . 2]" 1
676 1 50 ARG QG 1 52 VAL MG1 2.095 . 5.500 3.198 3.090 3.348 . 0 0 "[ . 1 . 2]" 1
677 1 50 ARG QG 1 90 ILE HA 2.420 . 5.500 4.469 4.342 4.607 . 0 0 "[ . 1 . 2]" 1
678 1 50 ARG QG 1 90 ILE MG 2.820 . 5.500 4.093 3.969 4.216 . 0 0 "[ . 1 . 2]" 1
679 1 50 ARG QG 1 91 TYR H 3.191 . 3.843 2.913 2.796 3.066 . 0 0 "[ . 1 . 2]" 1
680 1 50 ARG QG 1 91 TYR HA 2.918 . 5.500 4.211 4.104 4.441 . 0 0 "[ . 1 . 2]" 1
681 1 50 ARG QG 1 91 TYR HB2 2.529 . 3.328 2.097 1.702 2.537 0.206 11 0 "[ . 1 . 2]" 1
682 1 50 ARG QG 1 91 TYR HB3 3.142 . 3.433 2.433 2.130 2.903 . 0 0 "[ . 1 . 2]" 1
683 1 50 ARG QG 1 93 GLY QA 2.456 . 5.500 4.719 4.569 4.943 . 0 0 "[ . 1 . 2]" 1
684 1 51 ALA H 1 51 ALA HA 2.770 . 3.729 2.915 2.906 2.923 . 0 0 "[ . 1 . 2]" 1
685 1 51 ALA H 1 52 VAL H 3.685 . 5.383 4.364 4.323 4.393 . 0 0 "[ . 1 . 2]" 1
686 1 51 ALA H 1 52 VAL H 2.944 . 4.027 3.852 3.776 3.889 . 0 0 "[ . 1 . 2]" 1
687 1 51 ALA H 1 52 VAL MG1 3.311 . 4.682 4.131 4.035 4.238 . 0 0 "[ . 1 . 2]" 1
688 1 51 ALA H 1 60 ASN HA 2.864 . 5.500 3.627 3.499 3.888 . 0 0 "[ . 1 . 2]" 1
689 1 51 ALA H 1 60 ASN HD22 3.591 . 5.203 3.774 3.604 4.072 . 0 0 "[ . 1 . 2]" 1
690 1 51 ALA H 1 61 VAL H 2.810 . 5.500 3.682 3.397 3.914 . 0 0 "[ . 1 . 2]" 1
691 1 51 ALA H 1 61 VAL MG2 3.497 . 5.025 3.986 3.884 4.192 . 0 0 "[ . 1 . 2]" 1
692 1 51 ALA H 1 62 ALA H 2.534 . 5.500 2.835 2.752 2.961 . 0 0 "[ . 1 . 2]" 1
693 1 51 ALA H 1 62 ALA HA 3.408 . 4.859 3.945 3.868 3.985 . 0 0 "[ . 1 . 2]" 1
694 1 51 ALA H 1 62 ALA MB 2.429 . 5.500 1.933 1.729 2.083 . 0 0 "[ . 1 . 2]" 1
695 1 51 ALA HA 1 51 ALA MB 2.305 . 2.829 2.117 2.111 2.124 . 0 0 "[ . 1 . 2]" 1
696 1 51 ALA HA 1 52 VAL H 2.245 . 2.875 2.273 2.237 2.300 . 0 0 "[ . 1 . 2]" 1
697 1 51 ALA HA 1 52 VAL MG2 3.126 . 4.348 3.931 3.825 4.027 . 0 0 "[ . 1 . 2]" 1
698 1 51 ALA HA 1 89 ILE H 3.403 . 4.851 4.206 3.986 4.406 . 0 0 "[ . 1 . 2]" 1
699 1 51 ALA HA 1 90 ILE HA 2.536 . 3.340 2.190 2.097 2.279 . 0 0 "[ . 1 . 2]" 1
700 1 51 ALA HA 1 90 ILE MG 3.100 . 5.500 3.620 3.488 3.751 . 0 0 "[ . 1 . 2]" 1
701 1 51 ALA HA 1 91 TYR H 2.731 . 3.663 2.309 2.047 2.487 . 0 0 "[ . 1 . 2]" 1
702 1 51 ALA MB 1 52 VAL H 2.499 . 3.280 2.797 2.728 2.887 . 0 0 "[ . 1 . 2]" 1
703 1 51 ALA MB 1 61 VAL H 3.296 . 4.654 2.972 2.848 3.115 . 0 0 "[ . 1 . 2]" 1
704 1 51 ALA MB 1 61 VAL MG2 2.280 . 2.930 1.807 1.742 1.870 . 0 0 "[ . 1 . 2]" 1
705 1 51 ALA MB 1 62 ALA H 2.579 . 5.500 2.494 2.359 2.566 . 0 0 "[ . 1 . 2]" 1
706 1 51 ALA MB 1 62 ALA HA 2.464 . 3.223 2.177 2.085 2.223 . 0 0 "[ . 1 . 2]" 1
707 1 51 ALA MB 1 88 ASN HB3 2.912 . 5.500 3.128 2.787 3.483 . 0 0 "[ . 1 . 2]" 1
708 1 51 ALA MB 1 89 ILE HA 2.236 . 5.500 4.153 4.062 4.233 . 0 0 "[ . 1 . 2]" 1
709 1 51 ALA MB 1 89 ILE MD 2.107 . 5.500 3.821 3.728 3.920 . 0 0 "[ . 1 . 2]" 1
710 1 51 ALA MB 1 90 ILE HA 2.449 . 3.199 2.393 2.223 2.508 . 0 0 "[ . 1 . 2]" 1
711 1 51 ALA MB 1 90 ILE HB 2.494 . 5.500 4.537 4.403 4.699 . 0 0 "[ . 1 . 2]" 1
712 1 51 ALA MB 1 90 ILE HG13 2.375 . 5.500 3.498 3.239 3.787 . 0 0 "[ . 1 . 2]" 1
713 1 51 ALA MB 1 90 ILE MG 2.706 . 5.500 2.914 2.687 3.115 . 0 0 "[ . 1 . 2]" 1
714 1 52 VAL H 1 52 VAL HA 2.946 . 4.031 2.938 2.930 2.947 . 0 0 "[ . 1 . 2]" 1
715 1 52 VAL H 1 52 VAL HB 3.252 . 4.574 3.768 3.747 3.792 . 0 0 "[ . 1 . 2]" 1
716 1 52 VAL H 1 52 VAL MG2 2.363 . 3.061 2.175 2.103 2.225 . 0 0 "[ . 1 . 2]" 1
717 1 52 VAL H 1 53 ALA H 3.719 . 5.448 4.366 4.336 4.385 . 0 0 "[ . 1 . 2]" 1
718 1 52 VAL H 1 61 VAL MG2 3.382 . 4.812 3.085 2.952 3.242 . 0 0 "[ . 1 . 2]" 1
719 1 52 VAL H 1 88 ASN HA 3.364 . 5.500 4.973 4.771 5.185 . 0 0 "[ . 1 . 2]" 1
720 1 52 VAL H 1 89 ILE H 2.601 . 3.378 3.132 2.932 3.291 . 0 0 "[ . 1 . 2]" 1
721 1 52 VAL H 1 89 ILE MD 3.728 . 5.465 2.429 2.279 2.592 . 0 0 "[ . 1 . 2]" 1
722 1 52 VAL H 1 89 ILE MG 3.563 . 5.150 2.633 2.521 2.722 . 0 0 "[ . 1 . 2]" 1
723 1 52 VAL H 1 90 ILE HA 3.124 . 4.344 3.740 3.624 3.877 . 0 0 "[ . 1 . 2]" 1
724 1 52 VAL HA 1 52 VAL HB 2.511 . 3.299 2.396 2.373 2.415 . 0 0 "[ . 1 . 2]" 1
725 1 52 VAL HA 1 52 VAL MG1 2.242 . 2.871 2.475 2.435 2.522 . 0 0 "[ . 1 . 2]" 1
726 1 52 VAL HA 1 53 ALA H 2.309 . 2.975 2.195 2.167 2.221 . 0 0 "[ . 1 . 2]" 1
727 1 52 VAL HA 1 53 ALA MB 3.055 . 4.221 3.947 3.911 3.977 . 0 0 "[ . 1 . 2]" 1
728 1 52 VAL HA 1 57 PRO HB3 2.331 . 5.500 4.629 4.549 4.718 . 0 0 "[ . 1 . 2]" 1
729 1 52 VAL HA 1 61 VAL H 3.172 . 4.429 2.809 2.641 2.947 . 0 0 "[ . 1 . 2]" 1
730 1 52 VAL HA 1 61 VAL MG2 3.056 . 3.320 2.723 2.422 2.922 . 0 0 "[ . 1 . 2]" 1
731 1 52 VAL HB 1 52 VAL MG1 2.039 . 2.558 2.124 2.118 2.130 . 0 0 "[ . 1 . 2]" 1
732 1 52 VAL HB 1 53 ALA H 2.652 . 3.531 3.026 2.968 3.088 . 0 0 "[ . 1 . 2]" 1
733 1 52 VAL HB 1 57 PRO HA 2.737 . 3.674 1.946 1.771 2.144 0.029 2 0 "[ . 1 . 2]" 1
734 1 52 VAL HB 1 57 PRO HB3 2.688 . 3.591 3.235 3.110 3.327 . 0 0 "[ . 1 . 2]" 1
735 1 52 VAL QG 1 53 ALA H 2.622 . 3.481 3.374 3.327 3.412 . 0 0 "[ . 1 . 2]" 1
736 1 52 VAL MG1 1 57 PRO HA 2.672 . 2.803 2.053 1.945 2.220 . 0 0 "[ . 1 . 2]" 1
737 1 52 VAL MG1 1 57 PRO HB3 2.710 . 3.628 1.956 1.897 2.002 . 0 0 "[ . 1 . 2]" 1
738 1 52 VAL MG1 1 57 PRO HG3 2.769 . 3.728 2.249 2.157 2.330 . 0 0 "[ . 1 . 2]" 1
739 1 52 VAL MG1 1 58 GLU H 3.139 . 4.370 4.124 3.945 4.264 . 0 0 "[ . 1 . 2]" 1
740 1 52 VAL MG1 1 59 VAL H 3.015 . 5.500 4.961 3.866 5.343 . 0 0 "[ . 1 . 2]" 1
741 1 52 VAL MG1 1 60 ASN HA 2.849 . 3.863 3.592 3.439 3.684 . 0 0 "[ . 1 . 2]" 1
742 1 52 VAL MG1 1 89 ILE MD 2.721 . 5.500 3.200 3.041 3.346 . 0 0 "[ . 1 . 2]" 1
743 1 52 VAL MG1 1 89 ILE MG 2.407 . 5.500 3.806 3.706 3.872 . 0 0 "[ . 1 . 2]" 1
744 1 52 VAL MG2 1 54 HIS H 3.451 . 4.939 4.181 4.061 4.418 . 0 0 "[ . 1 . 2]" 1
745 1 52 VAL MG2 1 56 VAL H 3.086 . 4.277 1.996 1.899 2.121 . 0 0 "[ . 1 . 2]" 1
746 1 52 VAL MG2 1 91 TYR HA 2.152 . 5.500 5.249 5.009 5.484 . 0 0 "[ . 1 . 2]" 1
747 1 53 ALA H 1 53 ALA MB 2.305 . 2.969 2.090 2.033 2.127 . 0 0 "[ . 1 . 2]" 1
748 1 53 ALA H 1 54 HIS H 3.556 . 5.137 4.423 4.381 4.510 . 0 0 "[ . 1 . 2]" 1
749 1 53 ALA H 1 56 VAL H 3.731 . 5.471 4.076 3.887 4.312 . 0 0 "[ . 1 . 2]" 1
750 1 53 ALA H 1 56 VAL HB 3.631 . 5.279 4.519 4.340 4.745 . 0 0 "[ . 1 . 2]" 1
751 1 53 ALA H 1 57 PRO HA 3.823 . 5.650 4.257 4.158 4.382 . 0 0 "[ . 1 . 2]" 1
752 1 53 ALA H 1 61 VAL MG2 2.909 . 5.500 3.014 2.375 3.227 . 0 0 "[ . 1 . 2]" 1
753 1 53 ALA HA 1 53 ALA MB 2.149 . 5.500 2.112 2.098 2.118 . 0 0 "[ . 1 . 2]" 1
754 1 53 ALA HA 1 54 HIS H 2.183 . 2.779 2.080 2.062 2.117 . 0 0 "[ . 1 . 2]" 1
755 1 53 ALA HA 1 89 ILE H 3.106 . 4.312 3.902 3.785 4.084 . 0 0 "[ . 1 . 2]" 1
756 1 53 ALA HA 1 89 ILE MD 2.468 . 5.500 5.721 5.635 5.878 0.378 17 0 "[ . 1 . 2]" 1
757 1 53 ALA MB 1 54 HIS H 2.411 . 5.500 3.234 3.139 3.279 . 0 0 "[ . 1 . 2]" 1
758 1 53 ALA MB 1 56 VAL H 2.850 . 5.500 4.082 4.030 4.144 . 0 0 "[ . 1 . 2]" 1
759 1 53 ALA MB 1 56 VAL HB 2.677 . 3.573 3.392 3.342 3.432 . 0 0 "[ . 1 . 2]" 1
760 1 53 ALA MB 1 56 VAL MG2 2.312 . 5.500 4.242 4.131 4.307 . 0 0 "[ . 1 . 2]" 1
761 1 53 ALA MB 1 57 PRO HA 2.550 . 5.500 5.179 5.131 5.257 . 0 0 "[ . 1 . 2]" 1
762 1 53 ALA MB 1 58 GLU HB3 2.851 . 5.500 4.214 3.759 6.064 0.564 7 1 "[ . + 1 . 2]" 1
763 1 53 ALA MB 1 61 VAL MG1 2.366 . 2.763 1.902 1.705 2.107 . 0 0 "[ . 1 . 2]" 1
764 1 53 ALA MB 1 61 VAL MG2 2.502 . 5.500 3.332 2.790 3.507 . 0 0 "[ . 1 . 2]" 1
765 1 53 ALA MB 1 88 ASN HA 2.911 . 5.500 4.105 4.030 4.228 . 0 0 "[ . 1 . 2]" 1
766 1 54 HIS H 1 54 HIS HA 2.424 . 3.159 2.315 2.303 2.327 . 0 0 "[ . 1 . 2]" 1
767 1 54 HIS H 1 54 HIS HB2 2.339 . 3.023 3.166 2.858 3.972 0.949 16 5 "[ - *1 * .+ * 2]" 1
768 1 54 HIS H 1 54 HIS HB3 2.309 . 5.500 3.366 2.928 3.619 . 0 0 "[ . 1 . 2]" 1
769 1 54 HIS H 1 98 GLN H 3.278 . 5.500 5.710 5.639 5.787 0.287 12 0 "[ . 1 . 2]" 1
770 1 54 HIS H 1 87 ASP H 3.438 . 5.500 4.820 4.447 5.157 . 0 0 "[ . 1 . 2]" 1
771 1 54 HIS H 1 87 ASP HB2 3.481 . 4.996 3.199 2.668 4.086 . 0 0 "[ . 1 . 2]" 1
772 1 54 HIS H 1 87 ASP HB3 3.427 . 4.895 3.345 2.677 5.123 0.228 14 0 "[ . 1 . 2]" 1
773 1 54 HIS H 1 88 ASN HA 2.560 . 3.379 2.678 2.034 3.153 . 0 0 "[ . 1 . 2]" 1
774 1 54 HIS H 1 89 ILE H 3.209 . 4.497 3.969 3.694 4.201 . 0 0 "[ . 1 . 2]" 1
775 1 54 HIS HA 1 54 HIS HB2 2.522 . 3.317 2.507 2.449 2.565 . 0 0 "[ . 1 . 2]" 1
776 1 54 HIS HA 1 54 HIS HB3 2.444 . 3.191 2.863 2.338 3.034 . 0 0 "[ . 1 . 2]" 1
777 1 54 HIS HA 1 55 GLY H 2.542 . 3.350 2.294 2.219 2.345 . 0 0 "[ . 1 . 2]" 1
778 1 54 HIS HA 1 89 ILE MG 2.775 . 5.500 2.915 2.439 3.306 . 0 0 "[ . 1 . 2]" 1
779 1 54 HIS HB2 1 55 GLY H 3.696 . 5.404 4.593 4.171 4.744 . 0 0 "[ . 1 . 2]" 1
780 1 55 GLY H 1 55 GLY HA2 2.921 . 3.987 2.282 2.258 2.294 . 0 0 "[ . 1 . 2]" 1
781 1 55 GLY H 1 56 VAL H 2.768 . 3.726 3.167 3.059 3.273 . 0 0 "[ . 1 . 2]" 1
782 1 55 GLY HA2 1 56 VAL H 2.844 . 3.855 2.909 2.808 3.059 . 0 0 "[ . 1 . 2]" 1
783 1 55 GLY HA2 1 57 PRO HD3 2.789 . 5.500 4.321 4.222 4.424 . 0 0 "[ . 1 . 2]" 1
784 1 55 GLY HA2 1 57 PRO HG3 2.608 . 5.500 4.978 4.716 5.151 . 0 0 "[ . 1 . 2]" 1
785 1 55 GLY HA3 1 56 VAL H 2.642 . 3.514 3.608 3.570 3.626 0.112 7 0 "[ . 1 . 2]" 1
786 1 56 VAL H 1 56 VAL HA 2.648 . 3.525 2.909 2.898 2.930 . 0 0 "[ . 1 . 2]" 1
787 1 56 VAL H 1 56 VAL HB 2.480 . 3.249 2.828 2.788 2.868 . 0 0 "[ . 1 . 2]" 1
788 1 56 VAL H 1 56 VAL MG1 2.741 . 5.500 3.900 3.869 3.911 . 0 0 "[ . 1 . 2]" 1
789 1 56 VAL H 1 56 VAL MG2 2.298 . 2.958 2.981 2.888 3.099 0.141 3 0 "[ . 1 . 2]" 1
790 1 56 VAL H 1 57 PRO HA 3.528 . 5.084 4.444 4.352 4.613 . 0 0 "[ . 1 . 2]" 1
791 1 56 VAL H 1 57 PRO HD2 3.004 . 5.500 4.927 4.860 4.973 . 0 0 "[ . 1 . 2]" 1
792 1 56 VAL H 1 57 PRO HD3 3.254 . 4.578 3.661 3.605 3.729 . 0 0 "[ . 1 . 2]" 1
793 1 56 VAL H 1 57 PRO HG3 3.460 . 5.500 4.721 4.564 4.872 . 0 0 "[ . 1 . 2]" 1
794 1 56 VAL HA 1 56 VAL MG1 2.296 . 5.500 2.385 2.358 2.416 . 0 0 "[ . 1 . 2]" 1
795 1 56 VAL HA 1 56 VAL MG2 2.291 . 2.947 2.432 2.376 2.467 . 0 0 "[ . 1 . 2]" 1
796 1 56 VAL HA 1 57 PRO HD2 2.354 . 3.047 2.656 2.590 2.746 . 0 0 "[ . 1 . 2]" 1
797 1 56 VAL HA 1 57 PRO HD3 2.251 . 2.884 1.941 1.860 2.010 . 0 0 "[ . 1 . 2]" 1
798 1 56 VAL HA 1 57 PRO HG3 2.850 . 3.866 4.114 4.021 4.190 0.324 20 0 "[ . 1 . 2]" 1
799 1 56 VAL HA 1 58 GLU H 3.406 . 4.856 4.507 4.218 4.725 . 0 0 "[ . 1 . 2]" 1
800 1 56 VAL HB 1 56 VAL MG1 2.272 . 2.917 2.128 2.106 2.131 . 0 0 "[ . 1 . 2]" 1
801 1 56 VAL HB 1 56 VAL MG2 2.179 . 2.772 2.128 2.121 2.131 . 0 0 "[ . 1 . 2]" 1
802 1 56 VAL MG1 1 58 GLU H 2.703 . 3.617 2.743 2.341 2.970 . 0 0 "[ . 1 . 2]" 1
803 1 56 VAL MG1 1 58 GLU QG 3.015 . 5.500 3.842 1.629 4.169 0.249 7 0 "[ . 1 . 2]" 1
804 1 56 VAL MG1 1 59 VAL H 2.626 . 5.500 4.263 3.940 4.512 . 0 0 "[ . 1 . 2]" 1
805 1 57 PRO HA 1 57 PRO HB3 2.816 . 3.807 2.272 2.261 2.281 . 0 0 "[ . 1 . 2]" 1
806 1 57 PRO HA 1 57 PRO HB3 2.199 . 2.803 2.224 2.218 2.230 . 0 0 "[ . 1 . 2]" 1
807 1 57 PRO HA 1 58 GLU H 2.601 . 3.447 2.617 2.550 2.735 . 0 0 "[ . 1 . 2]" 1
808 1 57 PRO HA 1 58 GLU HA 2.720 . 5.500 4.332 4.306 4.358 . 0 0 "[ . 1 . 2]" 1
809 1 57 PRO HA 1 59 VAL H 3.329 . 4.715 4.132 2.955 4.492 . 0 0 "[ . 1 . 2]" 1
810 1 57 PRO HB2 1 57 PRO HG3 1.943 . 2.415 2.541 2.501 2.639 0.224 5 0 "[ . 1 . 2]" 1
811 1 57 PRO HB3 1 57 PRO HD2 3.040 . 4.195 3.845 3.832 3.858 . 0 0 "[ . 1 . 2]" 1
812 1 57 PRO HB3 1 57 PRO HD2 2.123 . 2.686 2.907 2.906 2.909 0.223 16 0 "[ . 1 . 2]" 1
813 1 57 PRO HB3 1 57 PRO HD3 3.038 . 4.192 4.065 4.051 4.079 . 0 0 "[ . 1 . 2]" 1
814 1 57 PRO HB3 1 58 GLU H 2.529 . 5.500 4.313 4.267 4.353 . 0 0 "[ . 1 . 2]" 1
815 1 57 PRO HD2 1 57 PRO HG3 2.335 . 3.016 3.009 3.005 3.013 . 0 0 "[ . 1 . 2]" 1
816 1 57 PRO HD2 1 58 GLU H 3.372 . 4.793 4.432 4.166 4.615 . 0 0 "[ . 1 . 2]" 1
817 1 57 PRO HD3 1 57 PRO HG3 2.100 . 2.651 2.341 2.334 2.347 . 0 0 "[ . 1 . 2]" 1
818 1 57 PRO HD3 1 58 GLU H 2.912 . 5.500 4.888 4.683 5.011 . 0 0 "[ . 1 . 2]" 1
819 1 58 GLU H 1 58 GLU HA 2.402 . 3.123 2.931 2.926 2.936 . 0 0 "[ . 1 . 2]" 1
820 1 58 GLU H 1 58 GLU HB2 2.639 . 3.510 2.929 2.621 3.065 . 0 0 "[ . 1 . 2]" 1
821 1 58 GLU H 1 58 GLU HB3 2.519 . 3.298 2.481 2.320 3.654 0.356 7 0 "[ . 1 . 2]" 1
822 1 58 GLU H 1 58 GLU QG 2.457 . 5.500 3.867 2.265 4.044 . 0 0 "[ . 1 . 2]" 1
823 1 58 GLU H 1 59 VAL H 2.541 . 3.348 2.283 2.020 2.395 . 0 0 "[ . 1 . 2]" 1
824 1 58 GLU H 1 59 VAL MG1 2.994 . 4.114 3.700 2.813 3.933 . 0 0 "[ . 1 . 2]" 1
825 1 58 GLU H 1 60 ASN H 3.179 . 5.500 5.647 5.558 5.721 0.221 14 0 "[ . 1 . 2]" 1
826 1 58 GLU HA 1 58 GLU HB2 2.291 . 2.947 2.463 2.382 3.018 0.071 7 0 "[ . 1 . 2]" 1
827 1 58 GLU HA 1 58 GLU HB3 2.363 . 3.061 2.994 2.381 3.031 . 0 0 "[ . 1 . 2]" 1
828 1 58 GLU HA 1 58 GLU QG 2.319 . 5.500 2.720 2.462 3.166 . 0 0 "[ . 1 . 2]" 1
829 1 58 GLU HA 1 59 VAL HA 1.793 . 5.500 4.562 4.527 4.636 . 0 0 "[ . 1 . 2]" 1
830 1 58 GLU HB2 1 58 GLU QG 2.052 . 5.500 2.323 2.117 2.424 . 0 0 "[ . 1 . 2]" 1
831 1 58 GLU HB2 1 59 VAL H 3.159 . 4.406 3.665 1.857 4.429 0.055 7 0 "[ . 1 . 2]" 1
832 1 58 GLU HB2 1 59 VAL MG1 2.724 . 5.500 4.292 1.860 4.647 . 0 0 "[ . 1 . 2]" 1
833 1 58 GLU HB3 1 58 GLU QG 1.893 . 2.341 2.271 2.147 2.396 0.055 7 0 "[ . 1 . 2]" 1
834 1 58 GLU HB3 1 59 VAL H 2.430 . 3.168 2.329 2.050 3.269 0.101 18 0 "[ . 1 . 2]" 1
835 1 58 GLU QG 1 59 VAL H 3.180 . 4.444 3.221 2.762 4.297 . 0 0 "[ . 1 . 2]" 1
836 1 58 GLU QG 1 59 VAL MG1 2.568 . 3.392 3.173 2.858 3.330 . 0 0 "[ . 1 . 2]" 1
837 1 59 VAL H 1 59 VAL HA 2.611 . 3.463 2.907 2.766 2.937 . 0 0 "[ . 1 . 2]" 1
838 1 59 VAL H 1 59 VAL MG1 2.345 . 3.033 2.093 1.858 2.746 . 0 0 "[ . 1 . 2]" 1
839 1 59 VAL H 1 60 ASN H 3.330 . 4.716 4.203 3.479 4.343 . 0 0 "[ . 1 . 2]" 1
840 1 59 VAL HA 1 59 VAL HB 2.791 . 3.765 2.402 2.336 2.433 . 0 0 "[ . 1 . 2]" 1
841 1 59 VAL HA 1 59 VAL MG1 1.994 . 5.500 3.206 3.180 3.214 . 0 0 "[ . 1 . 2]" 1
842 1 59 VAL HA 1 60 ASN H 2.146 . 2.721 2.064 1.984 2.089 . 0 0 "[ . 1 . 2]" 1
843 1 59 VAL HB 1 59 VAL MG1 1.940 . 2.410 2.124 2.119 2.135 . 0 0 "[ . 1 . 2]" 1
844 1 59 VAL HB 1 60 ASN H 3.056 . 4.223 3.748 3.447 3.919 . 0 0 "[ . 1 . 2]" 1
845 1 59 VAL MG1 1 60 ASN H 2.427 . 5.500 4.078 3.965 4.268 . 0 0 "[ . 1 . 2]" 1
846 1 59 VAL MG1 1 61 VAL MG1 1.768 . 5.500 2.684 2.352 2.984 . 0 0 "[ . 1 . 2]" 1
847 1 60 ASN H 1 60 ASN HA 2.869 . 3.898 2.813 2.799 2.827 . 0 0 "[ . 1 . 2]" 1
848 1 60 ASN H 1 60 ASN HB2 2.499 . 3.280 2.562 2.479 2.755 . 0 0 "[ . 1 . 2]" 1
849 1 60 ASN H 1 60 ASN HB3 2.614 . 3.468 2.484 2.336 2.594 . 0 0 "[ . 1 . 2]" 1
850 1 60 ASN H 1 61 VAL H 3.207 . 4.493 4.432 4.375 4.496 0.003 17 0 "[ . 1 . 2]" 1
851 1 60 ASN HA 1 60 ASN HB2 2.693 . 3.599 2.446 2.364 2.487 . 0 0 "[ . 1 . 2]" 1
852 1 60 ASN HA 1 60 ASN HB3 2.538 . 3.343 3.029 3.013 3.033 . 0 0 "[ . 1 . 2]" 1
853 1 60 ASN HA 1 61 VAL H 2.225 . 2.844 2.148 2.123 2.174 . 0 0 "[ . 1 . 2]" 1
854 1 60 ASN HA 1 61 VAL MG1 2.584 . 5.500 3.919 3.751 4.145 . 0 0 "[ . 1 . 2]" 1
855 1 60 ASN HA 1 61 VAL MG2 2.974 . 4.080 3.673 3.531 3.746 . 0 0 "[ . 1 . 2]" 1
856 1 60 ASN HA 1 62 ALA H 2.726 . 3.655 3.383 3.300 3.518 . 0 0 "[ . 1 . 2]" 1
857 1 60 ASN HB2 1 60 ASN HD21 2.892 . 3.937 2.960 2.903 3.425 . 0 0 "[ . 1 . 2]" 1
858 1 60 ASN HB2 1 60 ASN HD22 3.089 . 4.282 3.797 3.764 4.028 . 0 0 "[ . 1 . 2]" 1
859 1 60 ASN HB2 1 61 VAL H 3.380 . 4.808 4.361 4.172 4.449 . 0 0 "[ . 1 . 2]" 1
860 1 60 ASN HB3 1 60 ASN HD21 2.965 . 4.064 2.223 2.191 2.255 . 0 0 "[ . 1 . 2]" 1
861 1 60 ASN HB3 1 61 VAL H 3.334 . 4.723 4.367 4.313 4.414 . 0 0 "[ . 1 . 2]" 1
862 1 60 ASN HD21 1 62 ALA H 2.880 . 5.500 4.185 3.289 4.327 . 0 0 "[ . 1 . 2]" 1
863 1 60 ASN HD22 1 61 VAL H 3.010 . 5.500 5.324 4.680 5.512 0.012 19 0 "[ . 1 . 2]" 1
864 1 60 ASN HD22 1 62 ALA H 3.016 . 4.153 3.468 2.608 3.630 . 0 0 "[ . 1 . 2]" 1
865 1 60 ASN HD22 1 62 ALA MB 3.388 . 4.823 2.337 1.978 2.626 . 0 0 "[ . 1 . 2]" 1
866 1 61 VAL H 1 61 VAL MG1 2.612 . 3.465 2.593 2.477 2.814 . 0 0 "[ . 1 . 2]" 1
867 1 61 VAL H 1 61 VAL MG2 2.343 . 3.029 1.913 1.839 1.979 . 0 0 "[ . 1 . 2]" 1
868 1 61 VAL H 1 62 ALA H 2.173 . 2.763 2.467 2.385 2.560 . 0 0 "[ . 1 . 2]" 1
869 1 61 VAL HA 1 61 VAL HB 2.137 . 2.708 2.506 2.470 2.604 . 0 0 "[ . 1 . 2]" 1
870 1 61 VAL HA 1 61 VAL MG1 . . 2.635 2.308 2.214 2.347 . 0 0 "[ . 1 . 2]" 1
871 1 61 VAL HA 1 61 VAL MG2 2.668 . 5.500 3.204 3.181 3.213 . 0 0 "[ . 1 . 2]" 1
872 1 61 VAL HA 1 62 ALA H 2.729 . 3.660 3.259 3.207 3.303 . 0 0 "[ . 1 . 2]" 1
873 1 61 VAL HB 1 61 VAL MG1 2.225 . 2.679 2.136 2.131 2.150 . 0 0 "[ . 1 . 2]" 1
874 1 61 VAL HB 1 61 VAL MG2 2.314 . 2.811 2.122 2.117 2.131 . 0 0 "[ . 1 . 2]" 1
875 1 61 VAL HB 1 62 ALA H 3.435 . 4.910 4.335 4.260 4.375 . 0 0 "[ . 1 . 2]" 1
876 1 61 VAL HB 1 63 MET HB2 2.562 . 5.500 5.750 5.429 6.159 0.659 3 3 "[ + . *- . 2]" 1
877 1 61 VAL HB 1 88 ASN HB3 2.742 . 3.682 3.766 3.598 3.898 0.216 16 0 "[ . 1 . 2]" 1
878 1 61 VAL HB 1 98 GLN QG 2.764 . 5.500 5.433 5.215 6.302 0.802 14 2 "[ . 1 +. - 2]" 1
879 1 61 VAL MG1 1 61 VAL MG2 1.964 . 5.500 2.073 2.047 2.082 . 0 0 "[ . 1 . 2]" 1
880 1 61 VAL MG1 1 62 ALA H 3.017 . 4.155 4.290 4.245 4.341 0.186 6 0 "[ . 1 . 2]" 1
881 1 61 VAL MG1 1 62 ALA MB 2.330 . 5.500 4.825 4.726 4.885 . 0 0 "[ . 1 . 2]" 1
882 1 61 VAL MG1 1 88 ASN HB3 2.959 . 5.500 4.327 4.117 4.792 . 0 0 "[ . 1 . 2]" 1
883 1 61 VAL MG2 1 62 ALA H 2.552 . 3.366 3.132 3.063 3.202 . 0 0 "[ . 1 . 2]" 1
884 1 62 ALA H 1 62 ALA HA 2.561 . 3.381 2.854 2.838 2.866 . 0 0 "[ . 1 . 2]" 1
885 1 62 ALA H 1 62 ALA MB 2.045 . 5.500 2.234 2.192 2.265 . 0 0 "[ . 1 . 2]" 1
886 1 62 ALA H 1 63 MET H 3.177 . 4.439 3.953 3.894 4.036 . 0 0 "[ . 1 . 2]" 1
887 1 62 ALA H 1 64 LEU MD2 2.976 . 5.500 4.801 4.689 4.904 . 0 0 "[ . 1 . 2]" 1
888 1 62 ALA H 1 64 LEU HG 3.755 . 5.517 5.978 5.740 6.130 0.613 17 9 "[ * * **** .*+- 2]" 1
889 1 62 ALA HA 1 62 ALA MB 2.063 . 2.595 2.121 2.109 2.129 . 0 0 "[ . 1 . 2]" 1
890 1 62 ALA HA 1 63 MET H 2.088 . 2.633 2.305 2.259 2.362 . 0 0 "[ . 1 . 2]" 1
891 1 62 ALA HA 1 64 LEU MD1 2.343 . 5.500 3.685 3.638 3.723 . 0 0 "[ . 1 . 2]" 1
892 1 62 ALA MB 1 63 MET H 2.511 . 5.500 3.629 3.591 3.665 . 0 0 "[ . 1 . 2]" 1
893 1 62 ALA MB 1 64 LEU HA 2.733 . 5.500 4.536 4.420 4.619 . 0 0 "[ . 1 . 2]" 1
894 1 62 ALA MB 1 64 LEU HB2 2.598 . 5.500 5.057 4.806 5.177 . 0 0 "[ . 1 . 2]" 1
895 1 62 ALA MB 1 64 LEU HB3 2.501 . 5.500 5.145 5.089 5.208 . 0 0 "[ . 1 . 2]" 1
896 1 62 ALA MB 1 64 LEU MD2 2.400 . 5.500 1.907 1.757 2.079 . 0 0 "[ . 1 . 2]" 1
897 1 62 ALA MB 1 64 LEU HG 2.556 . 3.373 3.086 2.870 3.232 . 0 0 "[ . 1 . 2]" 1
898 1 62 ALA MB 1 81 MET HB2 2.358 . 5.500 3.542 3.070 4.502 . 0 0 "[ . 1 . 2]" 1
899 1 63 MET H 1 63 MET HA 2.611 . 3.463 2.758 2.741 2.768 . 0 0 "[ . 1 . 2]" 1
900 1 63 MET H 1 63 MET HB2 2.525 . 3.322 2.742 2.385 3.056 . 0 0 "[ . 1 . 2]" 1
901 1 63 MET H 1 63 MET HB3 2.576 . 5.500 2.602 2.323 3.615 . 0 0 "[ . 1 . 2]" 1
902 1 63 MET H 1 63 MET HG2 3.002 . 4.128 4.276 3.916 4.718 0.590 10 1 "[ . + . 2]" 1
903 1 63 MET H 1 64 LEU H 3.121 . 4.338 4.151 2.892 4.247 . 0 0 "[ . 1 . 2]" 1
904 1 63 MET H 1 64 LEU MD2 2.732 . 3.665 3.673 3.628 3.766 0.101 15 0 "[ . 1 . 2]" 1
905 1 63 MET H 1 81 MET HB2 3.199 . 4.478 4.031 3.609 5.002 0.524 14 1 "[ . 1 +. 2]" 1
906 1 63 MET H 1 82 GLN H 2.715 . 3.637 2.791 2.601 2.961 . 0 0 "[ . 1 . 2]" 1
907 1 63 MET H 1 83 LEU HA 3.493 . 5.500 4.498 4.295 4.699 . 0 0 "[ . 1 . 2]" 1
908 1 63 MET HA 1 64 LEU H 2.010 . 5.500 2.195 2.142 2.749 . 0 0 "[ . 1 . 2]" 1
909 1 63 MET HB2 1 63 MET HG2 2.435 . 3.176 2.780 2.422 3.007 . 0 0 "[ . 1 . 2]" 1
910 1 63 MET HB2 1 63 MET HG2 2.456 . 3.210 2.237 2.125 2.344 . 0 0 "[ . 1 . 2]" 1
911 1 63 MET HB2 1 64 LEU H 3.158 . 4.405 4.457 4.303 4.588 0.183 19 0 "[ . 1 . 2]" 1
912 1 63 MET HB3 1 63 MET HG2 2.449 . 3.199 2.633 2.407 2.996 . 0 0 "[ . 1 . 2]" 1
913 1 63 MET HG2 1 64 LEU H 3.337 . 5.500 3.945 3.646 4.835 . 0 0 "[ . 1 . 2]" 1
914 1 64 LEU H 1 64 LEU HB2 2.585 . 5.500 2.514 2.447 3.071 . 0 0 "[ . 1 . 2]" 1
915 1 64 LEU H 1 64 LEU MD1 2.858 . 5.500 3.925 3.767 4.019 . 0 0 "[ . 1 . 2]" 1
916 1 64 LEU H 1 64 LEU MD2 2.903 . 3.957 3.142 1.830 3.313 0.019 2 0 "[ . 1 . 2]" 1
917 1 64 LEU H 1 64 LEU HG 2.300 . 2.961 2.572 2.234 2.700 . 0 0 "[ . 1 . 2]" 1
918 1 64 LEU H 1 65 ILE H 3.333 . 4.722 4.395 4.110 4.547 . 0 0 "[ . 1 . 2]" 1
919 1 64 LEU H 1 66 THR H 3.686 . 5.384 5.298 5.128 5.396 0.012 14 0 "[ . 1 . 2]" 1
920 1 64 LEU HA 1 64 LEU HB2 2.428 . 3.165 3.011 2.990 3.015 . 0 0 "[ . 1 . 2]" 1
921 1 64 LEU HA 1 64 LEU MD2 2.373 . 3.077 1.936 1.849 2.080 . 0 0 "[ . 1 . 2]" 1
922 1 64 LEU HA 1 64 LEU HG 2.533 . 3.335 3.285 3.231 3.409 0.074 2 0 "[ . 1 . 2]" 1
923 1 64 LEU HA 1 65 ILE H 2.309 . 2.975 2.105 2.063 2.219 . 0 0 "[ . 1 . 2]" 1
924 1 64 LEU HA 1 65 ILE HA 2.792 . 3.766 3.769 3.505 3.937 0.171 17 0 "[ . 1 . 2]" 1
925 1 64 LEU HA 1 65 ILE HG12 2.786 . 3.756 3.783 3.724 3.820 0.064 7 0 "[ . 1 . 2]" 1
926 1 64 LEU HA 1 66 THR H 2.885 . 3.925 3.405 2.992 3.587 . 0 0 "[ . 1 . 2]" 1
927 1 64 LEU HA 1 81 MET HA 2.550 . 3.363 1.747 1.531 1.916 0.206 2 0 "[ . 1 . 2]" 1
928 1 64 LEU HA 1 82 GLN H 2.944 . 4.028 3.354 3.083 3.591 . 0 0 "[ . 1 . 2]" 1
929 1 64 LEU HB2 1 64 LEU MD1 2.611 . 3.123 2.415 2.350 2.470 . 0 0 "[ . 1 . 2]" 1
930 1 64 LEU HB2 1 64 LEU MD2 2.746 . 3.688 3.185 3.174 3.195 . 0 0 "[ . 1 . 2]" 1
931 1 64 LEU HB2 1 64 LEU MD2 2.060 . 2.590 2.384 1.891 2.917 0.327 14 0 "[ . 1 . 2]" 1
932 1 64 LEU HB2 1 66 THR H 2.566 . 3.389 2.836 2.747 2.904 . 0 0 "[ . 1 . 2]" 1
933 1 64 LEU HB2 1 65 ILE HG12 2.853 . 5.500 5.151 4.945 5.252 . 0 0 "[ . 1 . 2]" 1
934 1 64 LEU HB2 1 66 THR MG 2.686 . 5.500 5.486 5.179 5.628 0.128 13 0 "[ . 1 . 2]" 1
935 1 64 LEU HB2 1 67 PRO HA 2.807 . 3.792 2.258 1.867 2.676 . 0 0 "[ . 1 . 2]" 1
936 1 64 LEU HB2 1 67 PRO HB2 2.837 . 3.843 3.763 3.486 4.037 0.194 19 0 "[ . 1 . 2]" 1
937 1 64 LEU HB3 1 64 LEU MD1 2.623 . 3.483 2.296 2.232 2.354 . 0 0 "[ . 1 . 2]" 1
938 1 64 LEU HB3 1 64 LEU MD1 2.277 . 2.925 1.959 1.937 1.977 . 0 0 "[ . 1 . 2]" 1
939 1 64 LEU HB3 1 65 ILE H 3.215 . 4.507 3.328 2.761 3.653 . 0 0 "[ . 1 . 2]" 1
940 1 64 LEU HB3 1 66 THR H 3.374 . 4.797 2.663 2.491 2.794 . 0 0 "[ . 1 . 2]" 1
941 1 64 LEU HB3 1 68 ASN H 3.592 . 5.205 3.991 3.662 4.231 . 0 0 "[ . 1 . 2]" 1
942 1 64 LEU MD1 1 64 LEU MD2 2.208 . 2.546 2.083 2.058 2.092 . 0 0 "[ . 1 . 2]" 1
943 1 64 LEU MD1 1 66 THR H 2.891 . 3.935 3.696 3.629 3.749 . 0 0 "[ . 1 . 2]" 1
944 1 64 LEU MD1 1 67 PRO HA 2.868 . 3.896 2.004 1.645 2.389 0.195 12 0 "[ . 1 . 2]" 1
945 1 64 LEU MD1 1 68 ASN H 3.008 . 5.500 3.962 3.422 4.210 . 0 0 "[ . 1 . 2]" 1
946 1 64 LEU MD1 1 69 PRO HD2 2.643 . 5.500 3.801 3.402 4.125 . 0 0 "[ . 1 . 2]" 1
947 1 64 LEU MD1 1 69 PRO HD3 2.643 . 5.500 2.889 2.688 3.106 . 0 0 "[ . 1 . 2]" 1
948 1 64 LEU MD1 1 79 ILE MD 2.559 . 5.500 4.566 4.175 4.811 . 0 0 "[ . 1 . 2]" 1
949 1 64 LEU MD2 1 65 ILE H 2.717 . 3.640 2.237 2.069 2.602 . 0 0 "[ . 1 . 2]" 1
950 1 64 LEU MD2 1 66 THR H 3.045 . 4.204 3.646 3.533 3.748 . 0 0 "[ . 1 . 2]" 1
951 1 64 LEU MD2 1 69 PRO HD3 3.012 . 5.500 5.016 4.733 5.291 . 0 0 "[ . 1 . 2]" 1
952 1 64 LEU MD2 1 80 GLU H 3.746 . 5.500 4.062 3.855 4.313 . 0 0 "[ . 1 . 2]" 1
953 1 64 LEU MD2 1 81 MET HA 3.100 . 4.302 2.269 2.128 2.500 . 0 0 "[ . 1 . 2]" 1
954 1 64 LEU MD2 1 81 MET HB3 2.568 . 3.392 2.147 1.808 2.803 . 0 0 "[ . 1 . 2]" 1
955 1 64 LEU MD2 1 82 GLN H 2.884 . 5.500 3.378 3.216 3.597 . 0 0 "[ . 1 . 2]" 1
956 1 65 ILE H 1 65 ILE HA 2.914 . 3.975 2.838 2.791 2.937 . 0 0 "[ . 1 . 2]" 1
957 1 65 ILE H 1 65 ILE HB 2.576 . 3.406 2.757 2.726 2.796 . 0 0 "[ . 1 . 2]" 1
958 1 65 ILE H 1 65 ILE HG12 2.628 . 3.492 2.092 1.971 2.366 . 0 0 "[ . 1 . 2]" 1
959 1 65 ILE H 1 65 ILE MG 2.994 . 5.500 3.749 3.701 3.845 . 0 0 "[ . 1 . 2]" 1
960 1 65 ILE H 1 66 THR H 2.258 . 2.896 2.375 1.890 2.564 . 0 0 "[ . 1 . 2]" 1
961 1 65 ILE H 1 66 THR HA 3.720 . 5.449 5.050 4.680 5.207 . 0 0 "[ . 1 . 2]" 1
962 1 65 ILE H 1 80 GLU QB 3.185 . 4.453 2.995 2.543 3.333 . 0 0 "[ . 1 . 2]" 1
963 1 65 ILE H 1 81 MET HA 2.510 . 3.298 2.394 2.083 2.642 . 0 0 "[ . 1 . 2]" 1
964 1 65 ILE H 1 81 MET HB3 3.300 . 4.661 4.267 3.966 4.480 . 0 0 "[ . 1 . 2]" 1
965 1 65 ILE H 1 82 GLN H 3.128 . 4.351 4.056 3.656 4.456 0.105 12 0 "[ . 1 . 2]" 1
966 1 65 ILE H 1 82 GLN H 2.940 . 4.021 3.710 3.470 3.921 . 0 0 "[ . 1 . 2]" 1
967 1 65 ILE HA 1 65 ILE HB 2.710 . 3.628 3.007 2.988 3.019 . 0 0 "[ . 1 . 2]" 1
968 1 65 ILE HA 1 65 ILE MD 2.191 . 2.791 2.336 2.256 2.448 . 0 0 "[ . 1 . 2]" 1
969 1 65 ILE HA 1 65 ILE HG12 2.417 . 5.500 3.579 3.533 3.631 . 0 0 "[ . 1 . 2]" 1
970 1 65 ILE HA 1 65 ILE MG 2.219 . 2.835 2.244 2.199 2.277 . 0 0 "[ . 1 . 2]" 1
971 1 65 ILE HA 1 66 THR H 3.108 . 4.316 3.428 3.380 3.469 . 0 0 "[ . 1 . 2]" 1
972 1 65 ILE HB 1 65 ILE MG 2.158 . 2.740 1.936 1.925 1.945 . 0 0 "[ . 1 . 2]" 1
973 1 65 ILE HB 1 65 ILE MG 2.359 . 3.055 2.123 2.121 2.126 . 0 0 "[ . 1 . 2]" 1
974 1 65 ILE HB 1 66 THR HG1 2.809 . 3.796 3.617 2.996 4.049 0.253 1 0 "[ . 1 . 2]" 1
975 1 65 ILE HB 1 80 GLU H 3.103 . 4.306 4.258 4.057 4.396 0.090 19 0 "[ . 1 . 2]" 1
976 1 65 ILE HB 1 80 GLU HB3 2.417 . 3.147 1.687 1.623 2.008 0.064 19 0 "[ . 1 . 2]" 1
977 1 65 ILE HB 1 81 MET H 3.202 . 4.484 4.474 4.220 4.596 0.112 6 0 "[ . 1 . 2]" 1
978 1 65 ILE MD 1 65 ILE HG12 2.265 . 3.005 2.132 2.127 2.138 . 0 0 "[ . 1 . 2]" 1
979 1 65 ILE MD 1 65 ILE HG13 2.823 . 3.819 2.117 2.114 2.122 . 0 0 "[ . 1 . 2]" 1
980 1 65 ILE MD 1 65 ILE MG 1.792 . 2.193 2.122 2.104 2.141 . 0 0 "[ . 1 . 2]" 1
981 1 65 ILE MD 1 81 MET HA 2.717 . 5.500 3.276 3.083 3.445 . 0 0 "[ . 1 . 2]" 1
982 1 65 ILE MD 1 82 GLN HB2 3.191 . 4.464 2.083 1.401 2.744 0.517 19 1 "[ . 1 . +2]" 1
983 1 65 ILE MD 1 82 GLN HB3 2.336 . 3.018 2.249 1.652 3.020 0.002 5 0 "[ . 1 . 2]" 1
984 1 65 ILE MD 1 82 GLN HG2 2.593 . 5.500 3.509 3.292 3.695 . 0 0 "[ . 1 . 2]" 1
985 1 65 ILE HG12 1 65 ILE MG 2.053 . 5.500 3.173 3.162 3.181 . 0 0 "[ . 1 . 2]" 1
986 1 65 ILE HG12 1 80 GLU H 2.590 . 3.429 3.588 3.395 3.748 0.319 11 0 "[ . 1 . 2]" 1
987 1 65 ILE HG12 1 80 GLU HB3 2.588 . 3.425 2.324 2.032 2.721 . 0 0 "[ . 1 . 2]" 1
988 1 65 ILE HG12 1 81 MET H 3.664 . 5.342 2.945 2.700 3.131 . 0 0 "[ . 1 . 2]" 1
989 1 65 ILE HG12 1 81 MET HA 2.663 . 3.549 3.062 2.794 3.240 . 0 0 "[ . 1 . 2]" 1
990 1 65 ILE HG12 1 82 GLN H 3.128 . 4.351 4.207 4.043 4.404 0.053 19 0 "[ . 1 . 2]" 1
991 1 65 ILE HG13 1 80 GLU HB3 2.289 . 2.944 2.810 2.501 3.117 0.173 2 0 "[ . 1 . 2]" 1
992 1 65 ILE MG 1 80 GLU HB3 2.406 . 5.500 3.183 3.071 3.398 . 0 0 "[ . 1 . 2]" 1
993 1 66 THR H 1 66 THR HA 2.852 . 3.869 2.930 2.912 2.948 . 0 0 "[ . 1 . 2]" 1
994 1 66 THR H 1 66 THR HB 2.716 . 3.638 2.666 2.578 2.775 . 0 0 "[ . 1 . 2]" 1
995 1 66 THR H 1 67 PRO HG3 3.000 . 5.500 5.291 4.545 5.536 0.036 4 0 "[ . 1 . 2]" 1
996 1 66 THR H 1 79 ILE MG 3.707 . 5.424 4.313 3.717 4.828 . 0 0 "[ . 1 . 2]" 1
997 1 66 THR H 1 80 GLU H 2.886 . 3.927 3.310 3.031 3.536 . 0 0 "[ . 1 . 2]" 1
998 1 66 THR H 1 80 GLU HB3 2.961 . 5.500 3.498 3.215 3.868 . 0 0 "[ . 1 . 2]" 1
999 1 66 THR H 1 81 MET HA 3.187 . 4.456 4.161 3.956 4.383 . 0 0 "[ . 1 . 2]" 1
1000 1 66 THR HA 1 67 PRO HD2 2.315 . 2.985 2.452 2.261 2.762 . 0 0 "[ . 1 . 2]" 1
1001 1 66 THR HA 1 67 PRO HD3 2.311 . 2.978 2.142 1.842 2.465 . 0 0 "[ . 1 . 2]" 1
1002 1 66 THR HA 1 68 ASN H 3.479 . 4.992 3.783 3.519 4.151 . 0 0 "[ . 1 . 2]" 1
1003 1 66 THR HB 1 66 THR MG 2.163 . 2.748 2.127 2.108 2.133 . 0 0 "[ . 1 . 2]" 1
1004 1 66 THR HB 1 68 ASN H 3.371 . 4.792 4.261 4.029 4.410 . 0 0 "[ . 1 . 2]" 1
1005 1 66 THR MG 1 67 PRO HD3 2.864 . 5.500 3.996 3.729 4.272 . 0 0 "[ . 1 . 2]" 1
1006 1 66 THR MG 1 69 PRO HA 3.095 . 4.292 3.417 2.733 4.026 . 0 0 "[ . 1 . 2]" 1
1007 1 66 THR MG 1 79 ILE HA 2.742 . 5.500 3.623 3.220 3.983 . 0 0 "[ . 1 . 2]" 1
1008 1 67 PRO HA 1 67 PRO HB3 2.429 . 3.167 2.296 2.253 2.319 . 0 0 "[ . 1 . 2]" 1
1009 1 67 PRO HA 1 67 PRO HD2 2.961 . 4.057 4.001 3.876 4.066 0.009 2 0 "[ . 1 . 2]" 1
1010 1 67 PRO HA 1 67 PRO HD3 2.711 . 5.500 3.890 3.796 3.989 . 0 0 "[ . 1 . 2]" 1
1011 1 67 PRO HA 1 68 ASN H 2.205 . 2.813 2.938 2.834 3.035 0.222 9 0 "[ . 1 . 2]" 1
1012 1 67 PRO HB2 1 67 PRO HD3 3.307 . 4.674 4.032 3.995 4.073 . 0 0 "[ . 1 . 2]" 1
1013 1 67 PRO HB2 1 68 ASN H 2.970 . 5.500 4.246 4.095 4.360 . 0 0 "[ . 1 . 2]" 1
1014 1 67 PRO HB3 1 67 PRO HD2 3.416 . 4.875 3.906 3.888 3.939 . 0 0 "[ . 1 . 2]" 1
1015 1 67 PRO HB3 1 67 PRO HD3 3.069 . 4.247 3.400 3.134 3.968 . 0 0 "[ . 1 . 2]" 1
1016 1 67 PRO HB3 1 68 ASN H 2.949 . 4.036 4.296 4.193 4.420 0.384 2 0 "[ . 1 . 2]" 1
1017 1 67 PRO HD2 1 67 PRO HG2 2.519 . 3.312 2.276 2.260 2.314 . 0 0 "[ . 1 . 2]" 1
1018 1 67 PRO HD2 1 67 PRO HG3 2.509 . 3.296 2.845 2.771 2.990 . 0 0 "[ . 1 . 2]" 1
1019 1 67 PRO HD2 1 68 ASN H 3.318 . 4.694 3.365 3.041 3.890 . 0 0 "[ . 1 . 2]" 1
1020 1 67 PRO HD3 1 67 PRO HG2 2.705 . 3.620 2.875 2.693 2.947 . 0 0 "[ . 1 . 2]" 1
1021 1 67 PRO HD3 1 67 PRO HG3 2.488 . 3.262 2.276 2.260 2.310 . 0 0 "[ . 1 . 2]" 1
1022 1 67 PRO HD3 1 68 ASN H 3.564 . 5.151 4.247 3.996 4.636 . 0 0 "[ . 1 . 2]" 1
1023 1 67 PRO HG2 1 68 ASN H 3.292 . 4.647 4.152 3.769 4.630 . 0 0 "[ . 1 . 2]" 1
1024 1 68 ASN H 1 68 ASN HA 2.239 . 2.865 2.886 2.800 2.921 0.056 17 0 "[ . 1 . 2]" 1
1025 1 68 ASN H 1 68 ASN HB2 2.880 . 3.917 3.248 2.737 3.997 0.080 12 0 "[ . 1 . 2]" 1
1026 1 68 ASN H 1 68 ASN HB3 2.803 . 3.785 3.458 2.961 3.916 0.131 9 0 "[ . 1 . 2]" 1
1027 1 68 ASN H 1 69 PRO HD2 2.793 . 3.768 3.769 3.685 3.842 0.074 12 0 "[ . 1 . 2]" 1
1028 1 68 ASN H 1 69 PRO HD3 2.725 . 3.653 2.515 2.215 2.669 . 0 0 "[ . 1 . 2]" 1
1029 1 68 ASN HA 1 68 ASN HB2 2.505 . 3.289 2.714 2.461 3.033 . 0 0 "[ . 1 . 2]" 1
1030 1 68 ASN HA 1 68 ASN HB3 2.525 . 3.322 2.725 2.372 3.033 . 0 0 "[ . 1 . 2]" 1
1031 1 68 ASN HA 1 69 PRO HA 2.387 . 5.500 4.637 4.585 4.702 . 0 0 "[ . 1 . 2]" 1
1032 1 68 ASN HA 1 69 PRO HD2 2.402 . 3.123 2.450 2.189 2.837 . 0 0 "[ . 1 . 2]" 1
1033 1 68 ASN HA 1 69 PRO HD3 2.616 . 3.471 2.838 2.652 2.987 . 0 0 "[ . 1 . 2]" 1
1034 1 68 ASN HB2 1 68 ASN HD22 2.973 . 4.078 3.713 3.463 4.080 0.002 12 0 "[ . 1 . 2]" 1
1035 1 68 ASN HB3 1 68 ASN HD22 2.925 . 3.994 3.728 3.479 4.081 0.087 8 0 "[ . 1 . 2]" 1
1036 1 69 PRO HA 1 69 PRO HB2 2.306 . 2.971 2.699 2.656 2.815 . 0 0 "[ . 1 . 2]" 1
1037 1 69 PRO HA 1 69 PRO HB3 2.561 . 3.381 2.296 2.234 2.323 . 0 0 "[ . 1 . 2]" 1
1038 1 69 PRO HA 1 69 PRO HD3 3.336 . 4.727 3.815 3.704 3.866 . 0 0 "[ . 1 . 2]" 1
1039 1 69 PRO HA 1 69 PRO HG3 3.043 . 4.201 3.965 3.652 4.068 . 0 0 "[ . 1 . 2]" 1
1040 1 69 PRO HA 1 70 THR H 2.039 . 2.558 2.284 2.190 2.527 . 0 0 "[ . 1 . 2]" 1
1041 1 69 PRO HA 1 70 THR HG1 2.009 . 5.500 3.985 2.881 5.281 . 0 0 "[ . 1 . 2]" 1
1042 1 69 PRO HA 1 79 ILE MG 3.014 . 4.150 3.567 2.945 4.075 . 0 0 "[ . 1 . 2]" 1
1043 1 69 PRO HB2 1 69 PRO HG2 2.361 . 3.058 2.289 2.235 2.338 . 0 0 "[ . 1 . 2]" 1
1044 1 69 PRO HB2 1 69 PRO HG3 2.691 . 3.596 2.716 2.639 2.861 . 0 0 "[ . 1 . 2]" 1
1045 1 69 PRO HB2 1 70 THR H 2.890 . 3.934 3.273 2.377 4.111 0.177 4 0 "[ . 1 . 2]" 1
1046 1 69 PRO HB2 1 79 ILE MD 2.776 . 5.500 2.789 1.946 3.601 . 0 0 "[ . 1 . 2]" 1
1047 1 69 PRO HB3 1 69 PRO HG3 2.499 . 3.279 2.294 2.244 2.341 . 0 0 "[ . 1 . 2]" 1
1048 1 69 PRO HB3 1 70 THR H 3.187 . 4.457 3.884 3.361 4.479 0.022 4 0 "[ . 1 . 2]" 1
1049 1 69 PRO HD2 1 69 PRO HG2 2.620 . 3.478 2.268 2.235 2.299 . 0 0 "[ . 1 . 2]" 1
1050 1 69 PRO HD2 1 69 PRO HG3 2.667 . 3.556 2.799 2.721 2.909 . 0 0 "[ . 1 . 2]" 1
1051 1 69 PRO HD2 1 79 ILE MD 2.734 . 5.500 4.197 3.846 4.634 . 0 0 "[ . 1 . 2]" 1
1052 1 69 PRO HD3 1 69 PRO HG2 2.934 . 4.010 2.916 2.791 2.969 . 0 0 "[ . 1 . 2]" 1
1053 1 69 PRO HD3 1 69 PRO HG3 2.600 . 3.445 2.267 2.245 2.285 . 0 0 "[ . 1 . 2]" 1
1054 1 69 PRO HG2 1 79 ILE MG 2.889 . 3.814 3.398 2.668 3.830 0.016 11 0 "[ . 1 . 2]" 1
1055 1 69 PRO HG3 1 70 THR H 3.761 . 5.529 5.453 4.955 5.803 0.274 6 0 "[ . 1 . 2]" 1
1056 1 69 PRO HG3 1 79 ILE MD 2.690 . 3.595 2.240 1.879 2.788 . 0 0 "[ . 1 . 2]" 1
1057 1 69 PRO HG3 1 79 ILE MG 2.728 . 3.658 2.287 1.908 2.836 . 0 0 "[ . 1 . 2]" 1
1058 1 70 THR H 1 70 THR HA 2.957 . 4.050 2.881 2.859 2.904 . 0 0 "[ . 1 . 2]" 1
1059 1 70 THR H 1 70 THR HB 2.810 . 3.797 3.592 3.032 3.823 0.026 17 0 "[ . 1 . 2]" 1
1060 1 70 THR H 1 70 THR MG 2.842 . 5.500 3.355 2.591 4.008 . 0 0 "[ . 1 . 2]" 1
1061 1 70 THR H 1 71 MET H 3.311 . 4.682 4.272 3.935 4.484 . 0 0 "[ . 1 . 2]" 1
1062 1 70 THR HA 1 70 THR HB 2.648 . 3.524 2.675 2.551 3.012 . 0 0 "[ . 1 . 2]" 1
1063 1 70 THR HA 1 70 THR MG 2.162 . 2.746 2.220 2.168 2.316 . 0 0 "[ . 1 . 2]" 1
1064 1 70 THR HA 1 71 MET H 2.296 . 2.955 2.231 1.998 2.548 . 0 0 "[ . 1 . 2]" 1
1065 1 70 THR HB 1 70 THR HG1 2.086 . 2.630 2.478 2.159 2.775 0.145 3 0 "[ . 1 . 2]" 1
1066 1 70 THR HB 1 70 THR MG 2.284 . 2.936 2.130 2.119 2.137 . 0 0 "[ . 1 . 2]" 1
1067 1 70 THR HB 1 71 MET H 2.587 . 3.423 2.817 1.885 3.527 0.104 5 0 "[ . 1 . 2]" 1
1068 1 70 THR MG 1 71 MET H 2.655 . 5.500 3.142 2.008 3.769 . 0 0 "[ . 1 . 2]" 1
1069 1 71 MET H 1 71 MET HA 2.801 . 3.782 2.943 2.906 2.965 . 0 0 "[ . 1 . 2]" 1
1070 1 71 MET H 1 71 MET QB 3.263 . 4.594 2.802 2.527 3.203 . 0 0 "[ . 1 . 2]" 1
1071 1 71 MET H 1 71 MET HG2 2.743 . 3.683 3.212 2.212 4.654 0.971 16 1 "[ . 1 .+ 2]" 1
1072 1 71 MET H 1 72 GLU H 3.316 . 4.690 4.387 4.171 4.588 . 0 0 "[ . 1 . 2]" 1
1073 1 71 MET HA 1 71 MET HG2 2.887 . 3.929 3.264 2.351 4.257 0.328 20 0 "[ . 1 . 2]" 1
1074 1 71 MET HA 1 72 GLU H 2.197 . 2.800 2.121 1.947 2.299 . 0 0 "[ . 1 . 2]" 1
1075 1 71 MET QB 1 71 MET HG2 2.389 . 3.102 2.348 2.125 2.478 . 0 0 "[ . 1 . 2]" 1
1076 1 71 MET QB 1 72 GLU H 3.285 . 4.634 2.944 2.636 3.293 . 0 0 "[ . 1 . 2]" 1
1077 1 71 MET QB 1 72 GLU HB2 2.082 . 5.500 5.199 4.952 5.385 . 0 0 "[ . 1 . 2]" 1
1078 1 71 MET QB 1 77 GLY H 3.191 . 5.500 5.118 4.370 5.460 . 0 0 "[ . 1 . 2]" 1
1079 1 72 GLU H 1 72 GLU HA 2.981 . 4.092 2.932 2.912 2.944 . 0 0 "[ . 1 . 2]" 1
1080 1 72 GLU H 1 72 GLU HB2 2.639 . 3.510 2.547 2.320 2.707 . 0 0 "[ . 1 . 2]" 1
1081 1 72 GLU H 1 72 GLU HB3 2.744 . 3.685 3.307 2.718 3.566 . 0 0 "[ . 1 . 2]" 1
1082 1 72 GLU H 1 72 GLU HG3 2.865 . 3.891 3.352 2.456 4.661 0.770 2 1 "[ + . 1 . 2]" 1
1083 1 72 GLU H 1 75 GLY H 3.238 . 4.548 2.932 2.641 3.468 . 0 0 "[ . 1 . 2]" 1
1084 1 72 GLU H 1 75 GLY HA3 3.275 . 4.616 4.087 3.898 4.353 . 0 0 "[ . 1 . 2]" 1
1085 1 72 GLU H 1 77 GLY H 3.709 . 4.910 4.782 3.786 5.457 0.547 15 2 "[ . 1 +- 2]" 1
1086 1 72 GLU HA 1 73 ASN H 3.523 . 5.075 2.693 2.278 2.881 . 0 0 "[ . 1 . 2]" 1
1087 1 72 GLU HA 1 75 GLY H 3.332 . 4.720 4.444 4.303 4.715 . 0 0 "[ . 1 . 2]" 1
1088 1 72 GLU HB2 1 72 GLU HG2 2.442 . 3.188 2.869 2.509 3.011 . 0 0 "[ . 1 . 2]" 1
1089 1 72 GLU HB2 1 72 GLU HG3 2.626 . 3.488 2.375 2.264 2.566 . 0 0 "[ . 1 . 2]" 1
1090 1 72 GLU HB2 1 75 GLY H 3.111 . 4.321 3.793 3.260 4.317 . 0 0 "[ . 1 . 2]" 1
1091 1 72 GLU HB3 1 72 GLU HG2 2.032 . 2.548 2.633 2.330 3.003 0.455 13 0 "[ . 1 . 2]" 1
1092 1 72 GLU HB3 1 72 GLU HG3 2.446 . 3.194 2.870 2.507 3.017 . 0 0 "[ . 1 . 2]" 1
1093 1 72 GLU HB3 1 74 ASN H 3.552 . 5.129 3.394 2.768 3.747 . 0 0 "[ . 1 . 2]" 1
1094 1 72 GLU HB3 1 75 GLY H 3.385 . 4.818 4.566 4.182 4.845 0.027 14 0 "[ . 1 . 2]" 1
1095 1 72 GLU HG2 1 73 ASN H 3.587 . 5.195 4.032 3.817 4.491 . 0 0 "[ . 1 . 2]" 1
1096 1 73 ASN H 1 73 ASN HB2 3.025 . 4.169 3.599 3.559 3.650 . 0 0 "[ . 1 . 2]" 1
1097 1 73 ASN HA 1 73 ASN HB2 2.072 . 2.609 2.433 2.361 2.540 . 0 0 "[ . 1 . 2]" 1
1098 1 73 ASN HA 1 74 ASN H 3.547 . 5.119 3.434 3.290 3.555 . 0 0 "[ . 1 . 2]" 1
1099 1 73 ASN HB2 1 73 ASN HD21 2.836 . 3.841 3.319 2.908 3.549 . 0 0 "[ . 1 . 2]" 1
1100 1 73 ASN HB2 1 73 ASN HD22 2.984 . 4.097 3.976 3.762 4.082 . 0 0 "[ . 1 . 2]" 1
1101 1 73 ASN HB2 1 74 ASN H 3.192 . 4.466 4.191 4.009 4.384 . 0 0 "[ . 1 . 2]" 1
1102 1 73 ASN HD21 1 74 ASN HD21 3.008 . 4.139 3.351 2.145 4.769 0.630 10 1 "[ . + . 2]" 1
1103 1 73 ASN HD21 1 75 GLY H 2.870 . 3.900 3.976 3.903 4.065 0.165 14 0 "[ . 1 . 2]" 1
1104 1 73 ASN HD22 1 74 ASN HD21 2.890 . 3.934 2.989 2.083 4.922 0.988 8 1 "[ . + 1 . 2]" 1
1105 1 73 ASN HD22 1 75 GLY H 3.305 . 5.500 5.328 5.020 5.555 0.055 7 0 "[ . 1 . 2]" 1
1106 1 74 ASN H 1 74 ASN HB2 3.153 . 4.396 3.146 2.436 3.865 . 0 0 "[ . 1 . 2]" 1
1107 1 74 ASN H 1 75 GLY H 3.223 . 4.521 2.050 1.845 2.333 0.080 16 0 "[ . 1 . 2]" 1
1108 1 74 ASN HA 1 75 GLY H 2.630 . 3.494 3.258 3.195 3.345 . 0 0 "[ . 1 . 2]" 1
1109 1 74 ASN HB2 1 74 ASN HD21 2.998 . 4.122 2.887 2.161 3.529 . 0 0 "[ . 1 . 2]" 1
1110 1 74 ASN HB2 1 74 ASN HD22 2.738 . 3.675 3.779 3.450 4.075 0.400 19 0 "[ . 1 . 2]" 1
1111 1 74 ASN HB2 1 75 GLY H 3.069 . 4.246 3.979 3.292 4.465 0.219 19 0 "[ . 1 . 2]" 1
1112 1 75 GLY H 1 75 GLY HA2 2.653 . 3.533 2.487 2.426 2.602 . 0 0 "[ . 1 . 2]" 1
1113 1 75 GLY H 1 75 GLY HA3 2.616 . 3.472 2.957 2.942 2.966 . 0 0 "[ . 1 . 2]" 1
1114 1 75 GLY H 1 76 GLY H 3.450 . 4.938 4.406 4.035 4.555 . 0 0 "[ . 1 . 2]" 1
1115 1 75 GLY H 1 76 GLY HA2 3.775 . 5.557 5.120 4.645 5.418 . 0 0 "[ . 1 . 2]" 1
1116 1 75 GLY HA2 1 76 GLY H 2.313 . 2.982 2.696 2.396 3.315 0.333 14 0 "[ . 1 . 2]" 1
1117 1 75 GLY HA3 1 76 GLY H 2.239 . 2.866 2.138 1.987 2.194 . 0 0 "[ . 1 . 2]" 1
1118 1 76 GLY H 1 76 GLY HA2 2.622 . 3.481 2.778 2.689 2.951 . 0 0 "[ . 1 . 2]" 1
1119 1 76 GLY H 1 77 GLY H 3.083 . 4.271 3.138 2.084 4.401 0.130 11 0 "[ . 1 . 2]" 1
1120 1 76 GLY HA2 1 77 GLY H 2.569 . 3.394 3.152 2.109 3.569 0.175 8 0 "[ . 1 . 2]" 1
1121 1 76 GLY HA2 1 77 GLY HA2 2.632 . 5.500 4.992 4.294 5.283 . 0 0 "[ . 1 . 2]" 1
1122 1 76 GLY HA3 1 77 GLY H 2.470 . 3.232 3.019 2.676 3.379 0.147 9 0 "[ . 1 . 2]" 1
1123 1 76 GLY HA3 1 77 GLY HA3 2.876 . 5.500 4.766 4.493 5.264 . 0 0 "[ . 1 . 2]" 1
1124 1 76 GLY HA3 1 78 PHE H 3.150 . 5.500 4.625 3.614 5.656 0.156 12 0 "[ . 1 . 2]" 1
1125 1 76 GLY HA3 1 79 ILE MD 3.214 . 5.500 3.814 2.931 4.269 . 0 0 "[ . 1 . 2]" 1
1126 1 77 GLY H 1 77 GLY HA2 2.713 . 3.633 2.457 2.290 2.879 . 0 0 "[ . 1 . 2]" 1
1127 1 77 GLY H 1 77 GLY HA3 2.576 . 3.406 2.741 2.309 2.907 . 0 0 "[ . 1 . 2]" 1
1128 1 77 GLY H 1 78 PHE H 2.370 . 5.500 3.626 2.423 4.486 . 0 0 "[ . 1 . 2]" 1
1129 1 77 GLY HA2 1 78 PHE H 3.011 . 4.145 3.389 3.110 3.570 . 0 0 "[ . 1 . 2]" 1
1130 1 77 GLY HA3 1 78 PHE H 2.947 . 4.032 2.483 2.094 2.964 . 0 0 "[ . 1 . 2]" 1
1131 1 78 PHE H 1 78 PHE HA 2.663 . 3.549 2.873 2.815 2.937 . 0 0 "[ . 1 . 2]" 1
1132 1 78 PHE H 1 78 PHE HB2 2.116 . 5.500 3.703 2.464 4.082 . 0 0 "[ . 1 . 2]" 1
1133 1 78 PHE H 1 79 ILE H 3.041 . 5.500 4.271 4.098 4.504 . 0 0 "[ . 1 . 2]" 1
1134 1 78 PHE HA 1 78 PHE HB2 2.333 . 3.014 2.570 2.399 3.030 0.016 2 0 "[ . 1 . 2]" 1
1135 1 78 PHE HA 1 79 ILE H 2.207 . 2.816 2.166 2.129 2.221 . 0 0 "[ . 1 . 2]" 1
1136 1 78 PHE HA 1 79 ILE MD 2.632 . 5.500 4.486 4.140 4.595 . 0 0 "[ . 1 . 2]" 1
1137 1 78 PHE HB2 1 79 ILE H 2.951 . 4.040 3.244 2.876 4.329 0.289 4 0 "[ . 1 . 2]" 1
1138 1 78 PHE HB2 1 79 ILE MD 2.174 . 5.500 5.313 5.238 5.577 0.077 13 0 "[ . 1 . 2]" 1
1139 1 78 PHE HB2 1 80 GLU HG3 2.989 . 5.500 4.579 3.739 6.285 0.785 4 1 "[ +. 1 . 2]" 1
1140 1 79 ILE H 1 79 ILE HA 2.966 . 4.066 2.945 2.935 2.954 . 0 0 "[ . 1 . 2]" 1
1141 1 79 ILE H 1 79 ILE HB 2.750 . 3.696 2.759 2.194 2.853 . 0 0 "[ . 1 . 2]" 1
1142 1 79 ILE H 1 79 ILE MD 2.762 . 5.500 3.531 3.380 3.605 . 0 0 "[ . 1 . 2]" 1
1143 1 79 ILE H 1 79 ILE HG13 2.831 . 3.832 2.492 2.248 3.634 . 0 0 "[ . 1 . 2]" 1
1144 1 79 ILE H 1 80 GLU H 3.269 . 4.605 4.415 4.313 4.474 . 0 0 "[ . 1 . 2]" 1
1145 1 79 ILE HA 1 79 ILE MD 3.025 . 5.500 3.846 2.730 3.999 . 0 0 "[ . 1 . 2]" 1
1146 1 79 ILE HA 1 79 ILE MG 2.202 . 2.808 2.153 2.111 2.207 . 0 0 "[ . 1 . 2]" 1
1147 1 79 ILE HA 1 80 GLU H 2.273 . 2.919 2.341 2.174 2.494 . 0 0 "[ . 1 . 2]" 1
1148 1 79 ILE HB 1 79 ILE HG13 2.605 . 3.394 2.392 2.286 2.469 . 0 0 "[ . 1 . 2]" 1
1149 1 79 ILE HB 1 79 ILE MG 2.208 . 5.500 2.126 2.118 2.131 . 0 0 "[ . 1 . 2]" 1
1150 1 79 ILE MD 1 79 ILE HG12 2.496 . 3.275 2.114 2.100 2.121 . 0 0 "[ . 1 . 2]" 1
1151 1 79 ILE MD 1 79 ILE HG13 1.904 . 5.500 2.117 2.103 2.126 . 0 0 "[ . 1 . 2]" 1
1152 1 79 ILE MD 1 79 ILE MG 1.255 . 5.500 1.873 1.766 2.004 . 0 0 "[ . 1 . 2]" 1
1153 1 79 ILE MD 1 92 VAL MG2 2.658 . 5.500 3.158 2.536 4.009 . 0 0 "[ . 1 . 2]" 1
1154 1 79 ILE HG13 1 79 ILE MG 2.126 . 5.500 3.167 2.641 3.202 . 0 0 "[ . 1 . 2]" 1
1155 1 79 ILE MG 1 80 GLU H 2.516 . 3.307 2.123 1.834 2.576 . 0 0 "[ . 1 . 2]" 1
1156 1 80 GLU H 1 80 GLU HA 3.000 . 4.125 2.933 2.923 2.945 . 0 0 "[ . 1 . 2]" 1
1157 1 80 GLU H 1 80 GLU HB2 2.719 . 3.643 2.682 2.542 2.778 . 0 0 "[ . 1 . 2]" 1
1158 1 80 GLU H 1 81 MET H 3.462 . 4.960 4.254 4.201 4.348 . 0 0 "[ . 1 . 2]" 1
1159 1 80 GLU HA 1 80 GLU HB3 2.078 . 2.618 2.492 2.418 2.564 . 0 0 "[ . 1 . 2]" 1
1160 1 80 GLU HA 1 80 GLU HG3 2.741 . 3.680 3.001 2.223 3.269 . 0 0 "[ . 1 . 2]" 1
1161 1 80 GLU HA 1 81 MET H 2.247 . 2.878 2.090 2.043 2.116 . 0 0 "[ . 1 . 2]" 1
1162 1 80 GLU QB 1 80 GLU HG2 2.148 . 2.725 2.331 2.130 2.428 . 0 0 "[ . 1 . 2]" 1
1163 1 80 GLU HB2 1 81 MET H 2.673 . 3.566 3.780 3.585 3.986 0.420 15 0 "[ . 1 . 2]" 1
1164 1 80 GLU HG3 1 81 MET H 2.932 . 5.500 4.917 4.008 5.186 . 0 0 "[ . 1 . 2]" 1
1165 1 81 MET H 1 81 MET HB2 3.135 . 4.363 3.752 3.119 3.897 . 0 0 "[ . 1 . 2]" 1
1166 1 81 MET H 1 81 MET HG2 2.733 . 5.500 3.443 2.616 4.079 . 0 0 "[ . 1 . 2]" 1
1167 1 81 MET H 1 81 MET HG3 2.941 . 4.022 2.972 2.227 4.616 0.594 6 1 "[ .+ 1 . 2]" 1
1168 1 81 MET HA 1 81 MET HB2 2.482 . 3.252 2.511 2.273 2.975 . 0 0 "[ . 1 . 2]" 1
1169 1 81 MET HA 1 81 MET HB3 2.621 . 3.480 2.497 2.280 2.840 . 0 0 "[ . 1 . 2]" 1
1170 1 81 MET HA 1 81 MET HG2 3.257 . 4.583 3.615 2.843 3.925 . 0 0 "[ . 1 . 2]" 1
1171 1 81 MET HA 1 82 GLN H 2.263 . 2.903 2.411 2.343 2.474 . 0 0 "[ . 1 . 2]" 1
1172 1 81 MET HB2 1 81 MET HG2 2.631 . 3.238 2.638 2.468 3.002 . 0 0 "[ . 1 . 2]" 1
1173 1 81 MET HB2 1 81 MET HG3 2.398 . 3.117 2.698 2.293 3.003 . 0 0 "[ . 1 . 2]" 1
1174 1 81 MET HB2 1 82 GLN H 2.541 . 3.348 2.806 2.465 3.268 . 0 0 "[ . 1 . 2]" 1
1175 1 81 MET HB2 1 90 ILE HG12 2.683 . 3.583 3.759 3.549 3.904 0.321 2 0 "[ . 1 . 2]" 1
1176 1 81 MET HB3 1 81 MET HG2 2.789 . 3.762 2.510 2.233 3.006 . 0 0 "[ . 1 . 2]" 1
1177 1 81 MET HB3 1 81 MET HG3 2.312 . 2.980 2.643 2.468 2.998 0.018 13 0 "[ . 1 . 2]" 1
1178 1 81 MET HG3 1 82 GLN H 3.418 . 4.878 4.418 3.462 5.080 0.202 13 0 "[ . 1 . 2]" 1
1179 1 82 GLN H 1 82 GLN HA 2.756 . 3.706 2.799 2.756 2.843 . 0 0 "[ . 1 . 2]" 1
1180 1 82 GLN H 1 82 GLN HB2 2.492 . 3.269 3.363 3.069 3.595 0.326 16 0 "[ . 1 . 2]" 1
1181 1 82 GLN H 1 82 GLN HB3 2.610 . 3.461 3.402 3.176 3.726 0.265 7 0 "[ . 1 . 2]" 1
1182 1 82 GLN H 1 82 GLN HG2 3.165 . 5.500 5.002 4.361 5.382 . 0 0 "[ . 1 . 2]" 1
1183 1 82 GLN H 1 83 LEU H 3.222 . 4.520 4.321 4.274 4.355 . 0 0 "[ . 1 . 2]" 1
1184 1 82 GLN HA 1 82 GLN HB2 2.654 . 3.535 2.629 2.448 2.869 . 0 0 "[ . 1 . 2]" 1
1185 1 82 GLN HA 1 82 GLN HB3 2.710 . 3.628 2.957 2.808 3.035 . 0 0 "[ . 1 . 2]" 1
1186 1 82 GLN HA 1 82 GLN HG2 2.665 . 3.553 3.278 2.417 3.819 0.266 8 0 "[ . 1 . 2]" 1
1187 1 82 GLN HA 1 83 LEU H 2.103 . 2.656 2.518 2.405 2.635 . 0 0 "[ . 1 . 2]" 1
1188 1 82 GLN HA 1 101 GLN HB3 2.753 . 5.500 5.184 4.762 5.515 0.015 8 0 "[ . 1 . 2]" 1
1189 1 82 GLN HB2 1 82 GLN HE22 3.483 . 4.999 4.558 4.070 5.105 0.106 15 0 "[ . 1 . 2]" 1
1190 1 82 GLN HB2 1 83 LEU H 2.877 . 5.500 3.663 3.522 3.727 . 0 0 "[ . 1 . 2]" 1
1191 1 82 GLN HB2 1 101 GLN QG 2.168 . 5.500 5.504 4.756 6.086 0.586 7 1 "[ . + 1 . 2]" 1
1192 1 82 GLN HB3 1 82 GLN HG2 2.545 . 3.310 2.686 2.444 3.012 . 0 0 "[ . 1 . 2]" 1
1193 1 82 GLN HB3 1 83 LEU H 3.210 . 4.498 2.882 2.104 3.385 . 0 0 "[ . 1 . 2]" 1
1194 1 82 GLN HE21 1 82 GLN HG2 2.632 . 3.498 3.098 2.262 3.575 0.077 13 0 "[ . 1 . 2]" 1
1195 1 82 GLN HE21 1 88 ASN HD21 3.348 . 5.500 5.187 4.400 5.706 0.206 13 0 "[ . 1 . 2]" 1
1196 1 82 GLN HE22 1 82 GLN HG2 2.791 . 3.765 3.893 3.508 4.117 0.352 17 0 "[ . 1 . 2]" 1
1197 1 82 GLN HE22 1 86 GLY H 3.581 . 5.500 5.330 4.807 5.636 0.136 17 0 "[ . 1 . 2]" 1
1198 1 82 GLN HE22 1 88 ASN H 3.210 . 5.500 5.771 5.629 5.894 0.394 4 0 "[ . 1 . 2]" 1
1199 1 82 GLN HE22 1 88 ASN HB2 3.124 . 4.344 4.097 3.602 4.384 0.040 20 0 "[ . 1 . 2]" 1
1200 1 82 GLN HE22 1 88 ASN HB3 3.019 . 5.500 5.076 4.414 5.503 0.003 14 0 "[ . 1 . 2]" 1
1201 1 82 GLN HE22 1 88 ASN HD21 3.178 . 5.500 4.600 3.273 5.628 0.128 1 0 "[ . 1 . 2]" 1
1202 1 82 GLN HE22 1 99 TRP HE1 2.846 . 5.500 5.124 3.513 5.707 0.207 20 0 "[ . 1 . 2]" 1
1203 1 82 GLN HE22 1 101 GLN H 2.988 . 5.500 4.598 4.161 4.977 . 0 0 "[ . 1 . 2]" 1
1204 1 82 GLN HE22 1 101 GLN HB3 3.472 . 4.979 2.778 2.406 3.417 . 0 0 "[ . 1 . 2]" 1
1205 1 82 GLN HG2 1 83 LEU H 2.719 . 3.643 3.438 3.244 3.763 0.120 7 0 "[ . 1 . 2]" 1
1206 1 83 LEU H 1 83 LEU HA 2.711 . 3.630 2.804 2.757 2.830 . 0 0 "[ . 1 . 2]" 1
1207 1 85 PRO HA 1 85 PRO HB2 2.496 . 2.754 2.954 2.877 3.003 0.249 20 0 "[ . 1 . 2]" 1
1208 1 85 PRO HA 1 85 PRO HB3 2.426 . 3.161 2.293 2.250 2.333 . 0 0 "[ . 1 . 2]" 1
1209 1 85 PRO HA 1 86 GLY H 2.281 . 2.931 2.302 2.221 2.426 . 0 0 "[ . 1 . 2]" 1
1210 1 85 PRO HA 1 86 GLY HA3 2.799 . 5.500 4.204 4.142 4.255 . 0 0 "[ . 1 . 2]" 1
1211 1 85 PRO HA 1 101 GLN H 3.317 . 5.500 4.667 4.362 4.900 . 0 0 "[ . 1 . 2]" 1
1212 1 85 PRO HA 1 101 GLN HB2 2.902 . 3.954 3.434 2.523 4.093 0.139 11 0 "[ . 1 . 2]" 1
1213 1 85 PRO HA 1 101 GLN HB3 3.231 . 5.500 4.913 4.061 5.518 0.018 5 0 "[ . 1 . 2]" 1
1214 1 85 PRO HA 1 101 GLN QG 2.606 . 5.500 4.184 3.761 4.595 . 0 0 "[ . 1 . 2]" 1
1215 1 85 PRO HB2 1 85 PRO HD2 3.080 . 4.266 3.541 3.017 3.989 . 0 0 "[ . 1 . 2]" 1
1216 1 85 PRO HB2 1 85 PRO HD3 3.071 . 4.250 3.890 3.858 3.936 . 0 0 "[ . 1 . 2]" 1
1217 1 85 PRO HB3 1 85 PRO HD2 3.069 . 4.247 4.018 3.951 4.094 . 0 0 "[ . 1 . 2]" 1
1218 1 85 PRO HB3 1 85 PRO HD3 3.121 . 4.338 3.594 3.110 4.030 . 0 0 "[ . 1 . 2]" 1
1219 1 85 PRO HB3 1 86 GLY H 2.806 . 3.790 3.261 3.022 3.480 . 0 0 "[ . 1 . 2]" 1
1220 1 85 PRO HD2 1 85 PRO HG2 2.821 . 3.816 2.292 2.254 2.322 . 0 0 "[ . 1 . 2]" 1
1221 1 85 PRO HD3 1 101 GLN HB2 2.981 . 5.500 5.501 5.038 5.622 0.122 8 0 "[ . 1 . 2]" 1
1222 1 86 GLY H 1 86 GLY HA3 2.560 . 3.379 2.916 2.897 2.940 . 0 0 "[ . 1 . 2]" 1
1223 1 86 GLY H 1 87 ASP H 3.181 . 4.446 4.376 4.349 4.426 . 0 0 "[ . 1 . 2]" 1
1224 1 86 GLY H 1 101 GLN H 2.737 . 3.610 3.342 3.016 3.681 0.071 19 0 "[ . 1 . 2]" 1
1225 1 86 GLY H 1 101 GLN QG 2.616 . 4.415 3.953 3.545 4.308 . 0 0 "[ . 1 . 2]" 1
1226 1 86 GLY HA2 1 87 ASP H 2.253 . 2.887 2.764 2.679 2.849 . 0 0 "[ . 1 . 2]" 1
1227 1 86 GLY HA3 1 87 ASP H 2.383 . 3.093 2.465 2.388 2.563 . 0 0 "[ . 1 . 2]" 1
1228 1 87 ASP H 1 87 ASP HA 2.713 . 3.633 2.927 2.911 2.937 . 0 0 "[ . 1 . 2]" 1
1229 1 87 ASP H 1 87 ASP HB2 2.408 . 3.133 2.634 2.292 3.631 0.498 14 0 "[ . 1 . 2]" 1
1230 1 87 ASP H 1 87 ASP HB3 2.308 . 5.500 3.625 3.111 3.718 . 0 0 "[ . 1 . 2]" 1
1231 1 87 ASP H 1 88 ASN H 3.166 . 4.419 4.461 4.424 4.485 0.066 16 0 "[ . 1 . 2]" 1
1232 1 87 ASP HA 1 88 ASN H 2.163 . 2.748 2.155 2.129 2.190 . 0 0 "[ . 1 . 2]" 1
1233 1 87 ASP HA 1 101 GLN H 2.923 . 3.991 2.921 2.532 3.272 . 0 0 "[ . 1 . 2]" 1
1234 1 87 ASP HB2 1 88 ASN H 2.936 . 4.014 4.066 2.995 4.311 0.297 17 0 "[ . 1 . 2]" 1
1235 1 87 ASP HB2 1 88 ASN HD21 3.277 . 4.619 4.794 4.285 5.222 0.603 15 3 "[ . - 1 + * 2]" 1
1236 1 87 ASP HB3 1 88 ASN H 3.060 . 4.231 3.327 3.099 3.995 . 0 0 "[ . 1 . 2]" 1
1237 1 87 ASP HB3 1 88 ASN HD21 3.234 . 5.500 4.983 4.446 5.212 . 0 0 "[ . 1 . 2]" 1
1238 1 87 ASP HB3 1 98 GLN QG 2.926 . 3.996 3.705 3.339 4.994 0.998 15 1 "[ . 1 + 2]" 1
1239 1 87 ASP HB3 1 100 PHE HB3 1.629 . 5.500 4.066 2.715 6.397 0.897 13 1 "[ . 1 + . 2]" 1
1240 1 88 ASN H 1 88 ASN HA 2.620 . 3.478 2.933 2.907 2.948 . 0 0 "[ . 1 . 2]" 1
1241 1 88 ASN H 1 88 ASN HB2 2.732 . 3.665 2.791 2.708 2.901 . 0 0 "[ . 1 . 2]" 1
1242 1 88 ASN H 1 88 ASN HB3 2.875 . 3.908 3.857 3.805 3.909 0.001 13 0 "[ . 1 . 2]" 1
1243 1 88 ASN H 1 89 ILE H 3.646 . 5.308 4.380 4.325 4.415 . 0 0 "[ . 1 . 2]" 1
1244 1 88 ASN H 1 89 ILE H 3.305 . 4.670 3.846 3.821 3.871 . 0 0 "[ . 1 . 2]" 1
1245 1 88 ASN H 1 99 TRP H 2.892 . 3.899 3.518 3.334 3.753 . 0 0 "[ . 1 . 2]" 1
1246 1 88 ASN H 1 101 GLN H 3.267 . 4.602 3.403 2.959 3.984 . 0 0 "[ . 1 . 2]" 1
1247 1 88 ASN HA 1 88 ASN HB2 2.463 . 3.221 3.037 3.027 3.046 . 0 0 "[ . 1 . 2]" 1
1248 1 88 ASN HA 1 88 ASN HB3 2.404 . 3.126 2.475 2.418 2.536 . 0 0 "[ . 1 . 2]" 1
1249 1 88 ASN HA 1 89 ILE H 2.277 . 2.925 2.372 2.225 2.512 . 0 0 "[ . 1 . 2]" 1
1250 1 88 ASN HA 1 89 ILE HB 3.174 . 5.500 4.985 4.867 5.102 . 0 0 "[ . 1 . 2]" 1
1251 1 88 ASN HA 1 101 GLN QG 2.226 . 5.500 4.580 4.326 5.354 . 0 0 "[ . 1 . 2]" 1
1252 1 88 ASN HB2 1 89 ILE H 2.998 . 4.122 3.675 3.294 4.024 . 0 0 "[ . 1 . 2]" 1
1253 1 88 ASN HB2 1 90 ILE HG13 3.406 . 5.500 5.138 4.695 5.524 0.024 7 0 "[ . 1 . 2]" 1
1254 1 88 ASN HB2 1 101 GLN QG 3.137 . 4.367 2.584 2.192 3.413 . 0 0 "[ . 1 . 2]" 1
1255 1 88 ASN HB3 1 89 ILE H 2.715 . 3.637 2.583 2.316 2.938 . 0 0 "[ . 1 . 2]" 1
1256 1 88 ASN HB3 1 101 GLN QG 2.680 . 5.500 3.871 3.515 4.787 . 0 0 "[ . 1 . 2]" 1
1257 1 89 ILE H 1 89 ILE HA 2.994 . 4.114 2.884 2.858 2.905 . 0 0 "[ . 1 . 2]" 1
1258 1 89 ILE H 1 89 ILE HB 2.700 . 3.611 3.749 3.692 3.801 0.190 2 0 "[ . 1 . 2]" 1
1259 1 89 ILE H 1 89 ILE MD 3.218 . 4.512 3.598 3.527 3.666 . 0 0 "[ . 1 . 2]" 1
1260 1 89 ILE H 1 89 ILE MG 3.005 . 4.134 2.430 2.366 2.536 . 0 0 "[ . 1 . 2]" 1
1261 1 89 ILE H 1 90 ILE HG13 2.755 . 5.500 4.605 4.410 4.932 . 0 0 "[ . 1 . 2]" 1
1262 1 89 ILE HA 1 89 ILE HB 2.731 . 3.664 2.293 2.274 2.315 . 0 0 "[ . 1 . 2]" 1
1263 1 89 ILE HA 1 89 ILE MD 2.460 . 5.500 3.589 3.507 3.635 . 0 0 "[ . 1 . 2]" 1
1264 1 89 ILE HA 1 89 ILE MG 2.929 . 4.002 3.118 3.100 3.136 . 0 0 "[ . 1 . 2]" 1
1265 1 89 ILE HA 1 90 ILE H 2.246 . 2.876 2.250 2.214 2.280 . 0 0 "[ . 1 . 2]" 1
1266 1 89 ILE HA 1 99 TRP H 2.896 . 3.944 3.276 2.902 3.525 . 0 0 "[ . 1 . 2]" 1
1267 1 89 ILE HB 1 89 ILE MD 2.323 . 5.500 3.192 3.183 3.204 . 0 0 "[ . 1 . 2]" 1
1268 1 89 ILE HB 1 89 ILE MG 2.162 . 2.746 2.075 2.065 2.080 . 0 0 "[ . 1 . 2]" 1
1269 1 89 ILE HB 1 90 ILE HG13 2.382 . 5.500 5.518 5.337 5.572 0.072 4 0 "[ . 1 . 2]" 1
1270 1 89 ILE HB 1 97 HIS H 2.989 . 5.500 4.232 4.063 4.531 . 0 0 "[ . 1 . 2]" 1
1271 1 89 ILE MD 1 89 ILE MG 2.063 . 2.595 1.838 1.774 1.871 0.002 20 0 "[ . 1 . 2]" 1
1272 1 89 ILE MD 1 90 ILE H 3.447 . 4.932 3.230 3.080 3.321 . 0 0 "[ . 1 . 2]" 1
1273 1 89 ILE MD 1 90 ILE HA 2.765 . 3.721 3.367 3.284 3.459 . 0 0 "[ . 1 . 2]" 1
1274 1 89 ILE MD 1 96 ASN HB3 2.534 . 5.500 3.230 3.112 3.383 . 0 0 "[ . 1 . 2]" 1
1275 1 89 ILE HG12 1 90 ILE H 2.430 . 3.168 2.087 2.010 2.156 . 0 0 "[ . 1 . 2]" 1
1276 1 89 ILE HG12 1 98 GLN HB3 2.568 . 5.500 5.439 4.990 5.697 0.197 15 0 "[ . 1 . 2]" 1
1277 1 89 ILE HG13 1 96 ASN HA 3.347 . 4.747 4.013 3.824 4.246 . 0 0 "[ . 1 . 2]" 1
1278 1 89 ILE MG 1 90 ILE H 2.522 . 5.500 4.119 4.072 4.165 . 0 0 "[ . 1 . 2]" 1
1279 1 89 ILE MG 1 96 ASN HB2 2.677 . 5.500 4.801 4.689 5.027 . 0 0 "[ . 1 . 2]" 1
1280 1 89 ILE MG 1 96 ASN HB3 2.484 . 5.500 5.922 5.816 6.050 0.550 19 3 "[ . - 1 . +*]" 1
1281 1 89 ILE MG 1 97 HIS H 2.623 . 5.500 4.523 4.428 4.684 . 0 0 "[ . 1 . 2]" 1
1282 1 89 ILE MG 1 98 GLN QG 3.012 . 4.285 2.292 2.026 2.495 . 0 0 "[ . 1 . 2]" 1
1283 1 90 ILE H 1 90 ILE MD 3.012 . 4.146 3.680 3.540 3.763 . 0 0 "[ . 1 . 2]" 1
1284 1 90 ILE H 1 90 ILE MG 2.741 . 5.500 3.870 3.848 3.901 . 0 0 "[ . 1 . 2]" 1
1285 1 90 ILE H 1 91 TYR H 3.579 . 5.180 4.377 4.332 4.431 . 0 0 "[ . 1 . 2]" 1
1286 1 90 ILE H 1 98 GLN HA 2.977 . 4.085 3.969 3.734 4.157 0.072 15 0 "[ . 1 . 2]" 1
1287 1 90 ILE HA 1 90 ILE MG 2.331 . 3.010 2.330 2.275 2.365 . 0 0 "[ . 1 . 2]" 1
1288 1 90 ILE HA 1 91 TYR H 2.259 . 2.897 2.081 2.051 2.137 . 0 0 "[ . 1 . 2]" 1
1289 1 90 ILE HB 1 90 ILE MD 2.558 . 3.376 2.319 2.244 2.368 . 0 0 "[ . 1 . 2]" 1
1290 1 90 ILE HB 1 90 ILE MG 2.280 . 2.930 2.121 2.112 2.128 . 0 0 "[ . 1 . 2]" 1
1291 1 90 ILE HB 1 91 TYR H 3.276 . 4.618 4.055 3.968 4.128 . 0 0 "[ . 1 . 2]" 1
1292 1 90 ILE HB 1 92 VAL MG2 3.005 . 4.133 3.211 2.959 3.503 . 0 0 "[ . 1 . 2]" 1
1293 1 90 ILE MD 1 90 ILE HG13 3.044 . 4.202 2.117 2.112 2.124 . 0 0 "[ . 1 . 2]" 1
1294 1 90 ILE MD 1 90 ILE MG 1.944 . 3.768 2.043 1.981 2.168 . 0 0 "[ . 1 . 2]" 1
1295 1 90 ILE MD 1 99 TRP HB3 2.859 . 5.500 5.355 4.895 5.734 0.234 13 0 "[ . 1 . 2]" 1
1296 1 90 ILE MG 1 91 TYR H 2.448 . 3.197 2.611 2.483 2.732 . 0 0 "[ . 1 . 2]" 1
1297 1 90 ILE MG 1 91 TYR HA 3.249 . 4.568 3.705 3.600 3.790 . 0 0 "[ . 1 . 2]" 1
1298 1 90 ILE MG 1 92 VAL H 3.539 . 5.104 3.393 3.017 4.154 . 0 0 "[ . 1 . 2]" 1
1299 1 90 ILE MG 1 92 VAL HA 3.032 . 4.181 3.524 3.328 3.870 . 0 0 "[ . 1 . 2]" 1
1300 1 90 ILE MG 1 92 VAL MG2 2.681 . 3.580 2.150 1.908 2.495 . 0 0 "[ . 1 . 2]" 1
1301 1 90 ILE MG 1 95 LEU QB 2.142 . 5.500 4.616 4.388 4.820 . 0 0 "[ . 1 . 2]" 1
1302 1 91 TYR H 1 91 TYR HB2 2.808 . 3.794 2.298 2.259 2.367 . 0 0 "[ . 1 . 2]" 1
1303 1 91 TYR H 1 91 TYR HB3 3.062 . 4.234 3.356 3.132 3.601 . 0 0 "[ . 1 . 2]" 1
1304 1 91 TYR H 1 92 VAL H 3.458 . 4.953 4.099 3.859 4.452 . 0 0 "[ . 1 . 2]" 1
1305 1 91 TYR HA 1 91 TYR HB2 2.887 . 3.929 2.922 2.819 3.020 . 0 0 "[ . 1 . 2]" 1
1306 1 91 TYR HA 1 91 TYR HB3 2.659 . 3.543 2.771 2.587 2.890 . 0 0 "[ . 1 . 2]" 1
1307 1 91 TYR HA 1 92 VAL H 2.240 . 2.867 2.206 2.150 2.261 . 0 0 "[ . 1 . 2]" 1
1308 1 91 TYR HA 1 96 ASN HA 2.598 . 3.441 2.371 2.256 2.510 . 0 0 "[ . 1 . 2]" 1
1309 1 91 TYR HA 1 96 ASN HB2 3.151 . 4.392 3.807 3.435 4.275 . 0 0 "[ . 1 . 2]" 1
1310 1 91 TYR HA 1 96 ASN HB3 3.322 . 4.701 3.011 2.642 3.431 . 0 0 "[ . 1 . 2]" 1
1311 1 91 TYR HA 1 97 HIS H 3.253 . 4.576 4.190 4.075 4.285 . 0 0 "[ . 1 . 2]" 1
1312 1 91 TYR HB2 1 92 VAL H 3.385 . 4.817 4.527 4.164 4.661 . 0 0 "[ . 1 . 2]" 1
1313 1 91 TYR HB3 1 92 VAL H 3.045 . 4.204 3.807 3.063 4.148 . 0 0 "[ . 1 . 2]" 1
1314 1 91 TYR QE 1 97 HIS H 3.393 . 5.500 5.344 5.184 5.460 . 0 0 "[ . 1 . 2]" 1
1315 1 92 VAL H 1 92 VAL HB 2.808 . 3.793 2.746 2.612 2.931 . 0 0 "[ . 1 . 2]" 1
1316 1 92 VAL H 1 92 VAL MG1 2.792 . 5.500 3.848 3.751 3.973 . 0 0 "[ . 1 . 2]" 1
1317 1 92 VAL H 1 92 VAL MG2 3.305 . 4.670 2.212 1.788 2.648 0.152 12 0 "[ . 1 . 2]" 1
1318 1 92 VAL H 1 93 GLY H 3.388 . 4.823 3.932 3.618 4.107 . 0 0 "[ . 1 . 2]" 1
1319 1 92 VAL H 1 95 LEU H 3.007 . 4.137 3.625 3.024 4.015 . 0 0 "[ . 1 . 2]" 1
1320 1 92 VAL H 1 95 LEU QB 3.315 . 4.688 2.558 2.379 2.778 . 0 0 "[ . 1 . 2]" 1
1321 1 92 VAL H 1 95 LEU MD2 3.632 . 5.281 4.199 3.895 4.426 . 0 0 "[ . 1 . 2]" 1
1322 1 92 VAL H 1 96 ASN HA 3.038 . 4.191 3.371 3.020 3.722 . 0 0 "[ . 1 . 2]" 1
1323 1 92 VAL HA 1 92 VAL MG1 2.018 . 2.527 2.313 2.181 2.366 . 0 0 "[ . 1 . 2]" 1
1324 1 92 VAL HA 1 92 VAL MG2 2.335 . 3.017 2.551 2.477 2.650 . 0 0 "[ . 1 . 2]" 1
1325 1 92 VAL HA 1 93 GLY H 2.261 . 2.900 2.256 2.217 2.322 . 0 0 "[ . 1 . 2]" 1
1326 1 92 VAL HA 1 95 LEU QB 2.973 . 5.500 4.042 3.770 4.277 . 0 0 "[ . 1 . 2]" 1
1327 1 92 VAL HB 1 92 VAL MG1 2.180 . 5.500 2.128 2.121 2.132 . 0 0 "[ . 1 . 2]" 1
1328 1 92 VAL HB 1 92 VAL MG2 2.165 . 5.500 2.127 2.118 2.132 . 0 0 "[ . 1 . 2]" 1
1329 1 92 VAL HB 1 95 LEU H 3.552 . 5.129 3.472 3.152 3.677 . 0 0 "[ . 1 . 2]" 1
1330 1 92 VAL HB 1 95 LEU QB 2.874 . 3.907 1.815 1.480 1.998 0.361 8 0 "[ . 1 . 2]" 1
1331 1 92 VAL MG1 1 92 VAL MG2 1.942 . 2.413 2.080 2.075 2.093 . 0 0 "[ . 1 . 2]" 1
1332 1 92 VAL MG1 1 93 GLY H 3.302 . 4.665 3.496 3.414 3.606 . 0 0 "[ . 1 . 2]" 1
1333 1 92 VAL MG1 1 93 GLY QA 2.615 . 5.500 3.820 3.690 4.040 . 0 0 "[ . 1 . 2]" 1
1334 1 92 VAL MG2 1 93 GLY H 2.836 . 5.500 4.375 4.322 4.432 . 0 0 "[ . 1 . 2]" 1
1335 1 92 VAL MG2 1 95 LEU MD1 2.063 . 5.500 4.430 3.740 4.708 . 0 0 "[ . 1 . 2]" 1
1336 1 93 GLY H 1 93 GLY QA 2.601 . 3.226 2.195 2.176 2.215 . 0 0 "[ . 1 . 2]" 1
1337 1 93 GLY H 1 94 ASP H 3.310 . 4.679 4.441 4.362 4.549 . 0 0 "[ . 1 . 2]" 1
1338 1 93 GLY H 1 95 LEU H 3.374 . 4.797 4.505 4.422 4.583 . 0 0 "[ . 1 . 2]" 1
1339 1 93 GLY QA 1 94 ASP H 2.722 . 3.648 2.142 2.116 2.188 . 0 0 "[ . 1 . 2]" 1
1340 1 93 GLY QA 1 95 LEU H 3.066 . 4.241 3.418 3.264 3.590 . 0 0 "[ . 1 . 2]" 1
1341 1 94 ASP H 1 94 ASP HA 2.700 . 3.612 2.886 2.850 2.915 . 0 0 "[ . 1 . 2]" 1
1342 1 94 ASP H 1 94 ASP HB2 2.800 . 3.780 2.568 2.240 3.724 . 0 0 "[ . 1 . 2]" 1
1343 1 94 ASP H 1 94 ASP HB3 2.618 . 3.475 2.679 2.424 3.574 0.099 4 0 "[ . 1 . 2]" 1
1344 1 94 ASP H 1 95 LEU H 2.420 . 3.152 2.426 2.325 2.558 . 0 0 "[ . 1 . 2]" 1
1345 1 94 ASP HB2 1 95 LEU H 3.558 . 5.141 4.096 3.539 4.404 . 0 0 "[ . 1 . 2]" 1
1346 1 94 ASP HB3 1 95 LEU H 3.566 . 5.155 3.339 3.047 4.353 . 0 0 "[ . 1 . 2]" 1
1347 1 95 LEU H 1 95 LEU HA 2.525 . 3.322 2.852 2.842 2.873 . 0 0 "[ . 1 . 2]" 1
1348 1 95 LEU H 1 95 LEU QB 2.488 . 3.239 2.076 2.044 2.174 . 0 0 "[ . 1 . 2]" 1
1349 1 95 LEU H 1 95 LEU MD1 2.953 . 5.500 2.920 2.535 3.512 . 0 0 "[ . 1 . 2]" 1
1350 1 95 LEU H 1 95 LEU MD2 2.855 . 5.500 4.127 3.973 4.326 . 0 0 "[ . 1 . 2]" 1
1351 1 95 LEU H 1 95 LEU HG 2.736 . 5.500 4.313 4.101 4.507 . 0 0 "[ . 1 . 2]" 1
1352 1 95 LEU H 1 96 ASN H 3.120 . 5.500 4.598 4.345 4.629 . 0 0 "[ . 1 . 2]" 1
1353 1 95 LEU HA 1 95 LEU MD1 2.403 . 5.500 2.430 2.193 2.684 . 0 0 "[ . 1 . 2]" 1
1354 1 95 LEU HA 1 95 LEU MD2 2.501 . 5.500 3.761 3.699 3.805 . 0 0 "[ . 1 . 2]" 1
1355 1 95 LEU HA 1 95 LEU HG 2.024 . 2.536 2.481 2.356 2.610 0.074 15 0 "[ . 1 . 2]" 1
1356 1 95 LEU QB 1 95 LEU MD1 2.691 . 3.596 2.255 2.193 2.341 . 0 0 "[ . 1 . 2]" 1
1357 1 95 LEU QB 1 95 LEU MD2 2.539 . 3.687 2.052 1.995 2.071 . 0 0 "[ . 1 . 2]" 1
1358 1 95 LEU QB 1 96 ASN H 3.055 . 3.988 2.923 2.738 3.671 . 0 0 "[ . 1 . 2]" 1
1359 1 95 LEU QB 1 97 HIS QB 1.700 . 5.500 5.112 5.009 5.275 . 0 0 "[ . 1 . 2]" 1
1360 1 95 LEU MD1 1 95 LEU MD2 2.132 . 2.700 2.048 1.916 2.075 . 0 0 "[ . 1 . 2]" 1
1361 1 95 LEU MD1 1 95 LEU HG 2.295 . 2.953 2.117 2.108 2.124 . 0 0 "[ . 1 . 2]" 1
1362 1 95 LEU MD1 1 96 ASN H 2.548 . 5.500 4.068 3.761 4.328 . 0 0 "[ . 1 . 2]" 1
1363 1 95 LEU MD2 1 95 LEU HG 2.468 . 2.933 2.112 2.081 2.120 . 0 0 "[ . 1 . 2]" 1
1364 1 95 LEU MD2 1 96 ASN H 2.803 . 5.500 4.100 3.761 4.566 . 0 0 "[ . 1 . 2]" 1
1365 1 95 LEU HG 1 96 ASN H 2.831 . 3.833 3.094 2.813 3.368 . 0 0 "[ . 1 . 2]" 1
1366 1 95 LEU HG 1 96 ASN HA 2.874 . 5.500 5.338 5.044 5.575 0.075 3 0 "[ . 1 . 2]" 1
1367 1 96 ASN H 1 96 ASN HA 2.769 . 3.728 2.860 2.828 2.947 . 0 0 "[ . 1 . 2]" 1
1368 1 96 ASN H 1 96 ASN HB2 3.100 . 4.301 4.015 3.775 4.082 . 0 0 "[ . 1 . 2]" 1
1369 1 96 ASN H 1 96 ASN HB3 3.211 . 4.500 3.514 3.193 3.602 . 0 0 "[ . 1 . 2]" 1
1370 1 96 ASN H 1 97 HIS H 3.444 . 4.576 4.323 4.295 4.474 . 0 0 "[ . 1 . 2]" 1
1371 1 96 ASN HA 1 96 ASN HB2 2.456 . 3.210 2.461 2.383 2.509 . 0 0 "[ . 1 . 2]" 1
1372 1 96 ASN HA 1 96 ASN HB3 2.425 . 3.160 2.443 2.389 2.538 . 0 0 "[ . 1 . 2]" 1
1373 1 96 ASN HA 1 97 HIS H 2.256 . 2.892 2.297 2.251 2.343 . 0 0 "[ . 1 . 2]" 1
1374 1 96 ASN HB2 1 97 HIS H 2.808 . 3.794 2.658 2.528 2.828 . 0 0 "[ . 1 . 2]" 1
1375 1 96 ASN HB2 1 98 GLN H 3.627 . 5.272 3.801 3.170 3.922 . 0 0 "[ . 1 . 2]" 1
1376 1 96 ASN HB3 1 97 HIS H 2.613 . 5.500 3.874 3.788 3.944 . 0 0 "[ . 1 . 2]" 1
1377 1 97 HIS H 1 97 HIS HA 2.769 . 3.728 2.809 2.785 2.855 . 0 0 "[ . 1 . 2]" 1
1378 1 97 HIS H 1 97 HIS QB 3.018 . 4.071 3.047 2.975 3.430 . 0 0 "[ . 1 . 2]" 1
1379 1 97 HIS HA 1 97 HIS QB 2.624 . 3.485 2.422 2.165 2.480 . 0 0 "[ . 1 . 2]" 1
1380 1 97 HIS HA 1 98 GLN H 2.864 . 3.890 2.138 2.071 2.172 . 0 0 "[ . 1 . 2]" 1
1381 1 98 GLN H 1 98 GLN HB2 3.464 . 4.964 2.439 2.066 2.612 . 0 0 "[ . 1 . 2]" 1
1382 1 98 GLN H 1 98 GLN HB3 3.329 . 4.715 2.653 2.540 3.353 . 0 0 "[ . 1 . 2]" 1
1383 1 98 GLN HA 1 98 GLN HB2 2.637 . 3.506 2.548 2.498 2.892 . 0 0 "[ . 1 . 2]" 1
1384 1 98 GLN HA 1 98 GLN HB3 2.760 . 3.712 3.004 2.785 3.026 . 0 0 "[ . 1 . 2]" 1
1385 1 98 GLN HA 1 98 GLN QG 2.840 . 3.848 2.376 2.202 2.436 . 0 0 "[ . 1 . 2]" 1
1386 1 98 GLN HA 1 99 TRP H 2.277 . 2.925 2.243 2.155 2.288 . 0 0 "[ . 1 . 2]" 1
1387 1 98 GLN HB2 1 98 GLN QG 2.327 . 3.004 2.275 2.137 2.392 . 0 0 "[ . 1 . 2]" 1
1388 1 98 GLN HB2 1 99 TRP H 2.986 . 4.100 3.973 3.869 4.214 0.114 19 0 "[ . 1 . 2]" 1
1389 1 98 GLN HB3 1 98 GLN QG 2.437 . 3.179 2.400 2.291 2.488 . 0 0 "[ . 1 . 2]" 1
1390 1 98 GLN HB3 1 99 TRP H 3.142 . 4.376 3.604 3.109 3.761 . 0 0 "[ . 1 . 2]" 1
1391 1 98 GLN HE22 1 98 GLN QG 3.206 . 4.491 3.394 3.215 3.491 . 0 0 "[ . 1 . 2]" 1
1392 1 98 GLN QG 1 99 TRP H 3.273 . 4.612 2.092 1.861 2.958 0.073 14 0 "[ . 1 . 2]" 1
1393 1 99 TRP H 1 99 TRP HA 2.792 . 3.766 2.838 2.768 2.904 . 0 0 "[ . 1 . 2]" 1
1394 1 99 TRP H 1 99 TRP HB2 2.958 . 4.052 3.693 3.378 4.059 0.007 13 0 "[ . 1 . 2]" 1
1395 1 99 TRP H 1 99 TRP HB3 2.828 . 3.828 2.993 2.750 3.218 . 0 0 "[ . 1 . 2]" 1
1396 1 99 TRP H 1 100 PHE H 3.237 . 4.547 4.190 3.641 4.282 . 0 0 "[ . 1 . 2]" 1
1397 1 99 TRP HB2 1 100 PHE H 3.072 . 4.251 3.807 2.957 4.333 0.082 20 0 "[ . 1 . 2]" 1
1398 1 99 TRP HB3 1 100 PHE H 2.388 . 3.101 3.343 2.550 3.518 0.417 14 0 "[ . 1 . 2]" 1
1399 1 99 TRP HE1 1 101 GLN H 3.349 . 4.751 4.360 4.015 4.706 . 0 0 "[ . 1 . 2]" 1
1400 1 99 TRP HE1 1 101 GLN HA 2.543 . 3.351 2.220 1.755 3.438 0.087 14 0 "[ . 1 . 2]" 1
1401 1 99 TRP HE1 1 101 GLN HB2 2.919 . 3.888 3.456 2.465 3.933 0.045 1 0 "[ . 1 . 2]" 1
1402 1 99 TRP HE1 1 101 GLN HB3 2.720 . 3.644 2.743 1.680 3.507 0.116 17 0 "[ . 1 . 2]" 1
1403 1 99 TRP HE1 1 101 GLN HE21 3.303 . 4.666 3.480 2.325 4.861 0.195 8 0 "[ . 1 . 2]" 1
1404 1 99 TRP HE1 1 101 GLN QG 2.868 . 5.180 3.870 2.530 4.219 . 0 0 "[ . 1 . 2]" 1
1405 1 99 TRP HE1 1 102 LYS H 3.143 . 5.500 3.596 2.799 5.311 . 0 0 "[ . 1 . 2]" 1
1406 1 100 PHE H 1 100 PHE HB3 2.358 . 3.053 3.007 2.503 3.717 0.664 15 1 "[ . 1 + 2]" 1
1407 1 100 PHE H 1 101 GLN H 3.436 . 4.912 4.397 4.318 4.522 . 0 0 "[ . 1 . 2]" 1
1408 1 100 PHE HA 1 101 GLN H 2.179 . 2.773 2.240 2.138 2.276 . 0 0 "[ . 1 . 2]" 1
1409 1 100 PHE HB2 1 101 GLN H 3.062 . 4.234 3.602 3.191 4.433 0.199 13 0 "[ . 1 . 2]" 1
1410 1 100 PHE HB3 1 101 GLN H 3.367 . 4.784 4.264 3.600 4.444 . 0 0 "[ . 1 . 2]" 1
1411 1 101 GLN H 1 101 GLN HA 2.867 . 3.894 2.900 2.879 2.922 . 0 0 "[ . 1 . 2]" 1
1412 1 101 GLN H 1 101 GLN HB2 2.608 . 5.500 3.162 2.755 3.630 . 0 0 "[ . 1 . 2]" 1
1413 1 101 GLN H 1 101 GLN HB3 2.770 . 3.729 3.476 3.167 3.661 . 0 0 "[ . 1 . 2]" 1
1414 1 101 GLN H 1 101 GLN QG 3.641 . 5.298 1.970 1.870 2.038 0.114 11 0 "[ . 1 . 2]" 1
1415 1 101 GLN H 1 102 LYS H 2.917 . 5.500 4.346 4.232 4.419 . 0 0 "[ . 1 . 2]" 1
1416 1 101 GLN HA 1 101 GLN HB3 2.697 . 3.606 2.310 2.264 2.349 . 0 0 "[ . 1 . 2]" 1
1417 1 101 GLN HA 1 101 GLN HE22 3.544 . 5.114 4.200 3.269 5.207 0.093 12 0 "[ . 1 . 2]" 1
1418 1 101 GLN HA 1 102 LYS H 2.072 . 2.609 2.110 2.039 2.176 . 0 0 "[ . 1 . 2]" 1
1419 1 101 GLN HA 1 102 LYS HA 2.329 . 5.500 4.357 4.257 4.427 . 0 0 "[ . 1 . 2]" 1
1420 1 101 GLN HB2 1 102 LYS H 3.196 . 4.473 3.706 3.113 4.182 . 0 0 "[ . 1 . 2]" 1
1421 1 101 GLN HB3 1 101 GLN QG 2.512 . 3.301 2.282 2.159 2.401 . 0 0 "[ . 1 . 2]" 1
1422 1 101 GLN HB3 1 102 LYS H 2.855 . 3.874 3.721 3.412 3.971 0.097 7 0 "[ . 1 . 2]" 1
1423 1 101 GLN HE21 1 101 GLN QG 3.107 . 4.051 2.802 2.767 2.845 . 0 0 "[ . 1 . 2]" 1
1424 1 101 GLN HE21 1 102 LYS H 2.860 . 3.883 3.964 3.895 4.059 0.176 17 0 "[ . 1 . 2]" 1
1425 1 101 GLN HE22 1 101 GLN QG 3.039 . 4.193 3.470 3.456 3.488 . 0 0 "[ . 1 . 2]" 1
1426 1 101 GLN HE22 1 102 LYS H 2.684 . 5.500 5.125 5.014 5.293 . 0 0 "[ . 1 . 2]" 1
1427 1 101 GLN QG 1 102 LYS H 3.412 . 5.500 4.809 4.699 4.911 . 0 0 "[ . 1 . 2]" 1
1428 1 102 LYS H 1 102 LYS HA 2.499 . 3.279 2.719 2.235 2.939 . 0 0 "[ . 1 . 2]" 1
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